4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide

C26H35N5O4 — CID 76902209

IUPAC4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCC(O)CC2)ccc1Nc1ccc2c(n1)N(C(C)C)[C@H](C)C(=O)N2C
InChIInChI=1S/C26H35N5O4/c1-15(2)31-16(3)26(34)30(4)21-12-13-23(29-24(21)31)28-20-11-6-17(14-22(20)35-5)25(33)27-18-7-9-19(32)10-8-18/h6,11-16,18-19,32H,7-10H2,1-5H3,(H,27,33)(H,28,29)/t16-,18?,19?/m1/s1
InChIKeyGHRDAWUZNIHTFP-IPJUCJBFSA-N
MW481.60 g/mol
LogP3.45
Rot. Bonds6

About 4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide

4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide (PubChem CID 76902209) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
PubChem CID76902209
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCC(O)CC2)ccc1Nc1ccc2c(n1)N(C(C)C)[C@H](C)C(=O)N2C
InChIInChI=1S/C26H35N5O4/c1-15(2)31-16(3)26(34)30(4)21-12-13-23(29-24(21)31)28-20-11-6-17(14-22(20)35-5)25(33)27-18-7-9-19(32)10-8-18/h6,11-16,18-19,32H,7-10H2,1-5H3,(H,27,33)(H,28,29)/t16-,18?,19?/m1/s1
InChIKeyGHRDAWUZNIHTFP-IPJUCJBFSA-N
XLogP3.45
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 11157114
(3R)-6-(4-acetyl-2-methoxyanilino)-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 121424054
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-[[5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 11376098
4-[[(7R)-5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 11238573
4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-(3-propoxypropyl)benzamide
CID 140941648
cyclopropylmethyl 4-[[(3S)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxybenzoate
CID 145256246
4-[(9-butan-2-yl-5,7,8-trimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 163818079
(3R)-4-cyclohexyl-6-[4-(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptane-6-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 76901448
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
N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide
CID 87055781
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide?
The IUPAC name of 4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide (CID 76902209) is 4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide.
What is the SMILES notation for 4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide?
The canonical SMILES for 4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide is COc1cc(C(=O)NC2CCC(O)CC2)ccc1Nc1ccc2c(n1)N(C(C)C)[C@H](C)C(=O)N2C.
What is the InChIKey of 4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide?
The InChIKey is GHRDAWUZNIHTFP-IPJUCJBFSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-15(2)31-16(3)26(34)30(4)21-12-13-23(29-24(21)31)28-20-11-6-17(14-22(20)35-5)25(33)27-18-7-9-19(32)10-8-18/h6,11-16,18-19,32H,7-10H2,1-5H3,(H,27,33)(H,28,29)/t16-,18?,19?/m1/s1.
What are the key properties of 4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide?
4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide has a molecular weight of 481.60 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide is sourced from PubChem (CID 76902209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).