2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen

C62H61Cl3N24O4S6 — CID 159522536

About 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen

2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen (PubChem CID 159522536) has the molecular formula C62H61Cl3N24O4S6 and a molecular weight of 1505.09 g/mol. Its IUPAC name is 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen
• PubChem CID: 159522536
• Molecular Formula: C62H61Cl3N24O4S6
• Molecular Weight: 1505.09 g/mol
• Exact Mass: 1502.27
• IUPAC Name: 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc(C(C)C#N)s2)nc1Nc1cc(C2CC2)[nH]n1.CC(C#N)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CC(C)c1cc(Nc2nc(-c3ccc(S(N)(=O)=O)s3)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(-c3ccc(S(N)(=O)=O)s3)ncc2Cl)n[nH]1.[H][H].[H][H]
• InChI: InChI=1S/C19H16N6S.C17H15ClN6S.C14H15ClN6O2S2.C12H11ClN6O2S2.2H2/c1-3-12-10-21-19(16-7-6-15(26-16)11(2)9-20)23-18(12)22-17-8-14(24-25-17)13-4-5-13;1-9(7-19)13-4-5-14(25-13)17-20-8-11(18)16(22-17)21-15-6-12(23-24-15)10-2-3-10;1-7(2)9-5-11(21-20-9)18-13-8(15)6-17-14(19-13)10-3-4-12(24-10)25(16,22)23;1-6-4-9(19-18-6)16-11-7(13)5-15-12(17-11)8-2-3-10(22-8)23(14,20)21;;/h1,6-8,10-11,13H,4-5H2,2H3,(H2,21,22,23,24,25);4-6,8-10H,2-3H2,1H3,(H2,20,21,22,23,24);3-7H,1-2H3,(H2,16,22,23)(H2,17,18,19,20,21);2-5H,1H3,(H2,14,20,21)(H2,15,16,17,18,19);2*1H
• InChIKey: MBZGFMINPIINKC-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 433.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1505.09
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen?

The IUPAC name of 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen (CID 159522536) is 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen.

What is the SMILES notation for 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen?

The canonical SMILES for 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen is C#Cc1cnc(-c2ccc(C(C)C#N)s2)nc1Nc1cc(C2CC2)[nH]n1.CC(C#N)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CC(C)c1cc(Nc2nc(-c3ccc(S(N)(=O)=O)s3)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(-c3ccc(S(N)(=O)=O)s3)ncc2Cl)n[nH]1.[H][H].[H][H].

What is the InChIKey of 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen?

The InChIKey is MBZGFMINPIINKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6S.C17H15ClN6S.C14H15ClN6O2S2.C12H11ClN6O2S2.2H2/c1-3-12-10-21-19(16-7-6-15(26-16)11(2)9-20)23-18(12)22-17-8-14(24-25-17)13-4-5-13;1-9(7-19)13-4-5-14(25-13)17-20-8-11(18)16(22-17)21-15-6-12(23-24-15)10-2-3-10;1-7(2)9-5-11(21-20-9)18-13-8(15)6-17-14(19-13)10-3-4-12(24-10)25(16,22)23;1-6-4-9(19-18-6)16-11-7(13)5-15-12(17-11)8-2-3-10(22-8)23(14,20)21;;/h1,6-8,10-11,13H,4-5H2,2H3,(H2,21,22,23,24,25);4-6,8-10H,2-3H2,1H3,(H2,20,21,22,23,24);3-7H,1-2H3,(H2,16,22,23)(H2,17,18,19,20,21);2-5H,1H3,(H2,14,20,21)(H2,15,16,17,18,19);2*1H.

What are the key properties of 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen?

2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen has a molecular weight of 1505.09 g/mol, XLogP of 14.86, 19 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen is sourced from PubChem (CID 159522536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).