4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide

C23H19F3N6O2 — CID 172821732

IUPAC4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc(C(=O)Nc3ccccn3)c(=O)[nH]c2n1
InChIInChI=1S/C23H19F3N6O2/c1-11(13-6-5-7-14(18(13)24)19(25)26)28-20-15-10-16(22(33)31-17-8-3-4-9-27-17)23(34)32-21(15)30-12(2)29-20/h3-11,19H,1-2H3,(H,27,31,33)(H2,28,29,30,32,34)/t11-/m1/s1
InChIKeyUHXWRQWETJZJQP-LLVKDONJSA-N
MW468.44 g/mol
LogP4.52
Rot. Bonds6

About 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide

4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172821732) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID172821732
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc(C(=O)Nc3ccccn3)c(=O)[nH]c2n1
InChIInChI=1S/C23H19F3N6O2/c1-11(13-6-5-7-14(18(13)24)19(25)26)28-20-15-10-16(22(33)31-17-8-3-4-9-27-17)23(34)32-21(15)30-12(2)29-20/h3-11,19H,1-2H3,(H,27,31,33)(H2,28,29,30,32,34)/t11-/m1/s1
InChIKeyUHXWRQWETJZJQP-LLVKDONJSA-N
XLogP4.52
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-N,2-dimethyl-N-(naphthalen-1-ylmethyl)-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 172750300
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-6-[1-(2-fluoroacetyl)-4-hydroxypiperidin-4-yl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 162383613
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-7-hydrazinyl-2-methylpyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 172558377
4-[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide
CID 166884861
tert-butyl 4-[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]piperazine-1-carboxylate
CID 164918596
6-(4-benzylpiperazin-1-yl)sulfonyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 164918378
ethyl 10-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-12-methyl-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-7-carboxylate
CID 172558362
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 166527368
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-one
CID 170692857
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2,8-dimethyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-7-one
CID 161168643
N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-methoxy-7-(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 175443386
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-ol
CID 169087318

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 172821732) is 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc(C(=O)Nc3ccccn3)c(=O)[nH]c2n1.
What is the InChIKey of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UHXWRQWETJZJQP-LLVKDONJSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-11(13-6-5-7-14(18(13)24)19(25)26)28-20-15-10-16(22(33)31-17-8-3-4-9-27-17)23(34)32-21(15)30-12(2)29-20/h3-11,19H,1-2H3,(H,27,31,33)(H2,28,29,30,32,34)/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide?
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-7-oxo-N-pyridin-2-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172821732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).