N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C26H25N7O3 — CID 122512874

IUPACN-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCn1cc(-c2ccc(NC(=O)c3cc4c(n(CC5CC5)c3=O)CCCC4=O)nc2)c2c(N)ncnc21
InChIInChI=1S/C26H25N7O3/c1-32-12-18(22-23(27)29-13-30-24(22)32)15-7-8-21(28-10-15)31-25(35)17-9-16-19(3-2-4-20(16)34)33(26(17)36)11-14-5-6-14/h7-10,12-14H,2-6,11H2,1H3,(H2,27,29,30)(H,28,31,35)
InChIKeyAGTKWWQDRJNOAJ-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.96
Rot. Bonds5

About N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 122512874) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID122512874
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC NameN-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCn1cc(-c2ccc(NC(=O)c3cc4c(n(CC5CC5)c3=O)CCCC4=O)nc2)c2c(N)ncnc21
InChIInChI=1S/C26H25N7O3/c1-32-12-18(22-23(27)29-13-30-24(22)32)15-7-8-21(28-10-15)31-25(35)17-9-16-19(3-2-4-20(16)34)33(26(17)36)11-14-5-6-14/h7-10,12-14H,2-6,11H2,1H3,(H2,27,29,30)(H,28,31,35)
InChIKeyAGTKWWQDRJNOAJ-UHFFFAOYSA-N
XLogP2.96
TPSA137.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(2,2-dimethylpropyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 122513328
N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-2,5-dioxo-1-phenylspiro[6,8-dihydroquinoline-7,1'-cyclobutane]-3-carboxamide
CID 122512848
N-[5-[4-amino-7-(3-fluorocyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-pyridinyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 122513352
N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 118069693
N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 155108791
N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-bromo-1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide
CID 122512903
5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 135198115
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 121361552
N-[4-[4-amino-7-(1-methylpiperidin-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-1-(3-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 122512925
[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
CID 155108832
N-[4-[4-amino-7-(2-methylsulfanylethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 135198296
[2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl]amino]phenyl] acetate
CID 67519902

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 122512874) is N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is Cn1cc(-c2ccc(NC(=O)c3cc4c(n(CC5CC5)c3=O)CCCC4=O)nc2)c2c(N)ncnc21.
What is the InChIKey of N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is AGTKWWQDRJNOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-32-12-18(22-23(27)29-13-30-24(22)32)15-7-8-21(28-10-15)31-25(35)17-9-16-19(3-2-4-20(16)34)33(26(17)36)11-14-5-6-14/h7-10,12-14H,2-6,11H2,1H3,(H2,27,29,30)(H,28,31,35).
What are the key properties of N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(cyclopropylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 122512874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).