4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide

C27H36N6O2 — CID 76902203

IUPAC4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESC[C@@H]1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)nc2N1C1CCCC1
InChIInChI=1S/C27H36N6O2/c1-18-27(35)32(3)23-12-13-24(30-25(23)33(18)22-6-4-5-7-22)28-20-10-8-19(9-11-20)26(34)29-21-14-16-31(2)17-15-21/h8-13,18,21-22H,4-7,14-17H2,1-3H3,(H,28,30)(H,29,34)/t18-/m1/s1
InChIKeyGAKSHNAOHQIPHD-GOSISDBHSA-N
MW476.63 g/mol
LogP3.76
Rot. Bonds5

About 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide

4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 76902203) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID76902203
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC Name4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESC[C@@H]1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)nc2N1C1CCCC1
InChIInChI=1S/C27H36N6O2/c1-18-27(35)32(3)23-12-13-24(30-25(23)33(18)22-6-4-5-7-22)28-20-10-8-19(9-11-20)26(34)29-21-14-16-31(2)17-15-21/h8-13,18,21-22H,4-7,14-17H2,1-3H3,(H,28,30)(H,29,34)/t18-/m1/s1
InChIKeyGAKSHNAOHQIPHD-GOSISDBHSA-N
XLogP3.76
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide
CID 11511524
6-(4-Acryloyl-piperazin-1-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038376
8-[butyl(ethyl)amino]-4-(4-acetyl-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 24768343
1-(4-{8-[butyl(ethyl)amino]-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-4-yl}-3-methylphenyl)ethan-1-one
CID 24768344
4-[Butyl(ethyl)amino]-8-(4-acetyl-2-methylphenyl)-2-methyl-5,6,7,8-tetrahydropteridin-6-one
CID 24768345
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435
2-(2-Morpholin-4-yl-ethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
CID 10871043
5-(6-Oxo-5,6-dihydro-benzo[c][1,5]naphthyridin-2-yl)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
CID 10938033
2-(4-Methyl-4-oxy-piperazin-1-yl)-5H-benzo[c][1,5]naphthyridin-6-one
CID 10979819
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11494093
3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylamino)pyridin-2-yl)-(1H)-pyridin-2-one
CID 11611103

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide (CID 76902203) is 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide is C[C@@H]1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)nc2N1C1CCCC1.
What is the InChIKey of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is GAKSHNAOHQIPHD-GOSISDBHSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-18-27(35)32(3)23-12-13-24(30-25(23)33(18)22-6-4-5-7-22)28-20-10-8-19(9-11-20)26(34)29-21-14-16-31(2)17-15-21/h8-13,18,21-22H,4-7,14-17H2,1-3H3,(H,28,30)(H,29,34)/t18-/m1/s1.
What are the key properties of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 476.63 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 76902203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).