1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide

C87H103ClFN29O10 — CID 159142864

About 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide

1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide (PubChem CID 159142864) has the molecular formula C87H103ClFN29O10 and a molecular weight of 1769.42 g/mol. Its IUPAC name is 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

• Compound Name: 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide
• PubChem CID: 159142864
• Molecular Formula: C87H103ClFN29O10
• Molecular Weight: 1769.42 g/mol
• Exact Mass: 1767.81
• IUPAC Name: 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide
• SMILES: C=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncc(C3CC3)n2c1=O.C=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncc(C3CCC3)n2c1=O.C=CC(=O)N1CC2C(CN3C=C(Nc4cn(C)nc4OC)c4ncc(Cl)n4C3=C)C2C1.C=CC(=O)NC1CN(c2cn3c(C)cnc3c(Nc3cn(C)nc3OC)n2)CC1F
• InChI: InChI=1S/C24H29N7O3.C23H27N7O3.C21H24ClN7O2.C19H23FN8O2/c1-4-21(32)29-9-15-16(10-29)17(15)11-30-13-18(26-19-12-28(2)27-23(19)34-3)22-25-8-20(14-6-5-7-14)31(22)24(30)33;1-4-20(31)28-8-14-15(9-28)16(14)10-29-12-17(25-18-11-27(2)26-22(18)33-3)21-24-7-19(13-5-6-13)30(21)23(29)32;1-5-19(30)28-8-14-13(15(14)9-28)7-27-11-16(20-23-6-18(22)29(20)12(27)2)24-17-10-26(3)25-21(17)31-4;1-5-16(29)22-13-9-27(7-12(13)20)15-10-28-11(2)6-21-18(28)17(24-15)23-14-8-26(3)25-19(14)30-4/h4,8,12-17,26H,1,5-7,9-11H2,2-3H3;4,7,11-16,25H,1,5-6,8-10H2,2-3H3;5-6,10-11,13-15,24H,1-2,7-9H2,3-4H3;5-6,8,10,12-13H,1,7,9H2,2-4H3,(H,22,29)(H,23,24)
• InChIKey: KIHSCMPTCHHAAJ-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 379.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1769.42
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide?

The IUPAC name of 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide (CID 159142864) is 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide.

What is the SMILES notation for 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide?

The canonical SMILES for 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncc(C3CC3)n2c1=O.C=CC(=O)N1CC2C(C1)C2Cn1cc(Nc2cn(C)nc2OC)c2ncc(C3CCC3)n2c1=O.C=CC(=O)N1CC2C(CN3C=C(Nc4cn(C)nc4OC)c4ncc(Cl)n4C3=C)C2C1.C=CC(=O)NC1CN(c2cn3c(C)cnc3c(Nc3cn(C)nc3OC)n2)CC1F.

What is the InChIKey of 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide?

The InChIKey is KIHSCMPTCHHAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3.C23H27N7O3.C21H24ClN7O2.C19H23FN8O2/c1-4-21(32)29-9-15-16(10-29)17(15)11-30-13-18(26-19-12-28(2)27-23(19)34-3)22-25-8-20(14-6-5-7-14)31(22)24(30)33;1-4-20(31)28-8-14-15(9-28)16(14)10-29-12-17(25-18-11-27(2)26-22(18)33-3)21-24-7-19(13-5-6-13)30(21)23(29)32;1-5-19(30)28-8-14-13(15(14)9-28)7-27-11-16(20-23-6-18(22)29(20)12(27)2)24-17-10-26(3)25-21(17)31-4;1-5-16(29)22-13-9-27(7-12(13)20)15-10-28-11(2)6-21-18(28)17(24-15)23-14-8-26(3)25-19(14)30-4/h4,8,12-17,26H,1,5-7,9-11H2,2-3H3;4,7,11-16,25H,1,5-6,8-10H2,2-3H3;5-6,10-11,13-15,24H,1-2,7-9H2,3-4H3;5-6,8,10,12-13H,1,7,9H2,2-4H3,(H,22,29)(H,23,24).

What are the key properties of 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide?

1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 1769.42 g/mol, XLogP of 7.56, 26 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 159142864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).