N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide

C23H21N5O2 — CID 135524139

IUPACN-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(-c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1
InChIInChI=1S/C23H21N5O2/c29-22(27-17-3-1-2-4-17)15-7-5-14(6-8-15)19-11-16(9-10-24-19)20-12-18-21(28-20)25-13-26-23(18)30/h5-13,17H,1-4H2,(H,27,29)(H2,25,26,28,30)
InChIKeyQMMSIZWXVQDHQO-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.65
Rot. Bonds4

About N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide

N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide (PubChem CID 135524139) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide
PubChem CID135524139
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(-c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1
InChIInChI=1S/C23H21N5O2/c29-22(27-17-3-1-2-4-17)15-7-5-14(6-8-15)19-11-16(9-10-24-19)20-12-18-21(28-20)25-13-26-23(18)30/h5-13,17H,1-4H2,(H,27,29)(H2,25,26,28,30)
InChIKeyQMMSIZWXVQDHQO-UHFFFAOYSA-N
XLogP3.65
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Y-39983
CID 11507964
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
Dipyridodiazepinone deriv. 42
CID 463562
2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470743
Pyrrolopyridine, 35
CID 10007353
Pyrrolopyridine, 33
CID 10453611
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
2-{2-[(cyclohexylmethyl)amino]pyrimidin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11347930
N-(4-{4-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-2-yl}pyrimidin-2-yl)benzamide
CID 11404817
2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide (CID 135524139) is N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide is O=C(NC1CCCC1)c1ccc(-c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1.
What is the InChIKey of N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide?
The InChIKey is QMMSIZWXVQDHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-22(27-17-3-1-2-4-17)15-7-5-14(6-8-15)19-11-16(9-10-24-19)20-12-18-21(28-20)25-13-26-23(18)30/h5-13,17H,1-4H2,(H,27,29)(H2,25,26,28,30).
What are the key properties of N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide?
N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-(4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 135524139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).