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

C27H37N7O2 — CID 121412327

IUPAC3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESC[C@@H]1C(=O)N(C)c2ccc(Nc3cccc(C(=O)NC4CCN(C)CC4)c3)nc2N1C1CCCCN1
InChIInChI=1S/C27H37N7O2/c1-18-27(36)33(3)22-10-11-23(31-25(22)34(18)24-9-4-5-14-28-24)29-21-8-6-7-19(17-21)26(35)30-20-12-15-32(2)16-13-20/h6-8,10-11,17-18,20,24,28H,4-5,9,12-16H2,1-3H3,(H,29,31)(H,30,35)/t18-,24?/m1/s1
InChIKeyBEXVZXDDJPMVED-QFADGXAASA-N
MW491.64 g/mol
LogP2.92
Rot. Bonds5

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

3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 121412327) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID121412327
Molecular FormulaC27H37N7O2
Molecular Weight491.64 g/mol
Exact Mass491.30
IUPAC Name3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESC[C@@H]1C(=O)N(C)c2ccc(Nc3cccc(C(=O)NC4CCN(C)CC4)c3)nc2N1C1CCCCN1
InChIInChI=1S/C27H37N7O2/c1-18-27(36)33(3)22-10-11-23(31-25(22)34(18)24-9-4-5-14-28-24)29-21-8-6-7-19(17-21)26(35)30-20-12-15-32(2)16-13-20/h6-8,10-11,17-18,20,24,28H,4-5,9,12-16H2,1-3H3,(H,29,31)(H,30,35)/t18-,24?/m1/s1
InChIKeyBEXVZXDDJPMVED-QFADGXAASA-N
XLogP2.92
TPSA92.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-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

tert-butyl 4-[(3R)-6-[3-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]carbamoyl]anilino]-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-4-yl]piperidine-1-carboxylate
CID 87055449
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzamide
CID 87055202
4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 123268592
3-chloro-4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 11466391
4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide
CID 123652394
4-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 76903348
(3R)-4-cyclohexyl-1,3-dimethyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]-3H-pyrido[2,3-b]pyrazin-2-one
CID 90242235
4-[(5,11-dimethyl-6-oxopyrido[2,3-b][1,4]benzodiazepin-2-yl)amino]benzenesulfinamide;4-[(5,11-dimethyl-6-oxopyrido[2,3-b][1,4]benzodiazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 144898165
3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 68939373
(3R)-6-(4-acetyl-2-methoxyanilino)-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 121424054
3-formyl-N-(1-methylpiperidin-4-yl)benzamide
CID 90104631
(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94149541

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide (CID 121412327) is 3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide is C[C@@H]1C(=O)N(C)c2ccc(Nc3cccc(C(=O)NC4CCN(C)CC4)c3)nc2N1C1CCCCN1.
What is the InChIKey of 3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is BEXVZXDDJPMVED-QFADGXAASA-N. The full InChI is InChI=1S/C27H37N7O2/c1-18-27(36)33(3)22-10-11-23(31-25(22)34(18)24-9-4-5-14-28-24)29-21-8-6-7-19(17-21)26(35)30-20-12-15-32(2)16-13-20/h6-8,10-11,17-18,20,24,28H,4-5,9,12-16H2,1-3H3,(H,29,31)(H,30,35)/t18-,24?/m1/s1.
What are the key properties of 3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 491.64 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 121412327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).