3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one

C24H29N7O3 — CID 135225930

IUPAC3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one
SMILESC=CC(=O)N1CCCC(n2cc(Nc3cn(C)nc3OC)c3ncc(C45CC(C4)C5)n3c2=O)C1
InChIInChI=1S/C24H29N7O3/c1-4-20(32)29-7-5-6-16(12-29)30-14-17(26-18-13-28(2)27-22(18)34-3)21-25-11-19(31(21)23(30)33)24-8-15(9-24)10-24/h4,11,13-16,26H,1,5-10,12H2,2-3H3
InChIKeyRRNICCALOXJDCF-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.38
Rot. Bonds6

About 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one

3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one (PubChem CID 135225930) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one
PubChem CID135225930
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one
SMILESC=CC(=O)N1CCCC(n2cc(Nc3cn(C)nc3OC)c3ncc(C45CC(C4)C5)n3c2=O)C1
InChIInChI=1S/C24H29N7O3/c1-4-20(32)29-7-5-6-16(12-29)30-14-17(26-18-13-28(2)27-22(18)34-3)21-25-11-19(31(21)23(30)33)24-8-15(9-24)10-24/h4,11,13-16,26H,1,5-10,12H2,2-3H3
InChIKeyRRNICCALOXJDCF-UHFFFAOYSA-N
XLogP2.38
TPSA98.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one (CID 135225930) is 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one is C=CC(=O)N1CCCC(n2cc(Nc3cn(C)nc3OC)c3ncc(C45CC(C4)C5)n3c2=O)C1.
What is the InChIKey of 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is RRNICCALOXJDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-4-20(32)29-7-5-6-16(12-29)30-14-17(26-18-13-28(2)27-22(18)34-3)21-25-11-19(31(21)23(30)33)24-8-15(9-24)10-24/h4,11,13-16,26H,1,5-10,12H2,2-3H3.
What are the key properties of 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one?
3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 463.54 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 135225930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).