4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C23H22N6O — CID 162361972

IUPAC4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(-n5cccc5)c4)CC3)c12
InChIInChI=1S/C23H22N6O/c1-16-14-24-22-20(16)21(25-15-26-22)17-7-11-29(12-8-17)23(30)27-18-5-4-6-19(13-18)28-9-2-3-10-28/h2-7,9-10,13-15H,8,11-12H2,1H3,(H,27,30)(H,24,25,26)
InChIKeyMTYXTLGOFIVLMP-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.38
Rot. Bonds3

About 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 162361972) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID162361972
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(-n5cccc5)c4)CC3)c12
InChIInChI=1S/C23H22N6O/c1-16-14-24-22-20(16)21(25-15-26-22)17-7-11-29(12-8-17)23(30)27-18-5-4-6-19(13-18)28-9-2-3-10-28/h2-7,9-10,13-15H,8,11-12H2,1H3,(H,27,30)(H,24,25,26)
InChIKeyMTYXTLGOFIVLMP-UHFFFAOYSA-N
XLogP4.38
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 162361972) is 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(-n5cccc5)c4)CC3)c12.
What is the InChIKey of 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is MTYXTLGOFIVLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16-14-24-22-20(16)21(25-15-26-22)17-7-11-29(12-8-17)23(30)27-18-5-4-6-19(13-18)28-9-2-3-10-28/h2-7,9-10,13-15H,8,11-12H2,1H3,(H,27,30)(H,24,25,26).
What are the key properties of 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-pyrrol-1-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 162361972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).