4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide

C25H27N7O2 — CID 118865601

IUPAC4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2nc(NC(=O)c3cc(C#N)ccn3)ncc21
InChIInChI=1S/C25H27N7O2/c1-31-15-19(17-7-10-32(11-8-17)24(34)18-4-2-3-5-18)22-21(31)14-28-25(29-22)30-23(33)20-12-16(13-26)6-9-27-20/h6,9,12,14-15,17-18H,2-5,7-8,10-11H2,1H3,(H,28,29,30,33)
InChIKeyRTZPCYAPJYRDML-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.38
Rot. Bonds4

About 4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide

4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 118865601) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID118865601
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2nc(NC(=O)c3cc(C#N)ccn3)ncc21
InChIInChI=1S/C25H27N7O2/c1-31-15-19(17-7-10-32(11-8-17)24(34)18-4-2-3-5-18)22-21(31)14-28-25(29-22)30-23(33)20-12-16(13-26)6-9-27-20/h6,9,12,14-15,17-18H,2-5,7-8,10-11H2,1H3,(H,28,29,30,33)
InChIKeyRTZPCYAPJYRDML-UHFFFAOYSA-N
XLogP3.38
TPSA116.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide (CID 118865601) is 4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide is Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2nc(NC(=O)c3cc(C#N)ccn3)ncc21.
What is the InChIKey of 4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is RTZPCYAPJYRDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-31-15-19(17-7-10-32(11-8-17)24(34)18-4-2-3-5-18)22-21(31)14-28-25(29-22)30-23(33)20-12-16(13-26)6-9-27-20/h6,9,12,14-15,17-18H,2-5,7-8,10-11H2,1H3,(H,28,29,30,33).
What are the key properties of 4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide?
4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118865601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).