5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide

C24H24F3N5O3 — CID 70656307

IUPAC5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide
SMILESC[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ncc2N)C[C@@H](O)[C@@]1(O)CF
InChIInChI=1S/C24H24F3N5O3/c1-12-7-13(8-19(33)24(12,35)11-25)14-5-6-29-10-18(14)31-23(34)21-17(28)9-30-22(32-21)20-15(26)3-2-4-16(20)27/h2-6,9-10,12-13,19,33,35H,7-8,11,28H2,1H3,(H,31,34)/t12-,13+,19+,24+/m0/s1
InChIKeyLWJSFVCONTZMIO-KKJNKLJWSA-N
MW487.48 g/mol
LogP3.23
Rot. Bonds5

About 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 70656307) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID70656307
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide
SMILESC[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ncc2N)C[C@@H](O)[C@@]1(O)CF
InChIInChI=1S/C24H24F3N5O3/c1-12-7-13(8-19(33)24(12,35)11-25)14-5-6-29-10-18(14)31-23(34)21-17(28)9-30-22(32-21)20-15(26)3-2-4-16(20)27/h2-6,9-10,12-13,19,33,35H,7-8,11,28H2,1H3,(H,31,34)/t12-,13+,19+,24+/m0/s1
InChIKeyLWJSFVCONTZMIO-KKJNKLJWSA-N
XLogP3.23
TPSA134.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 66554686
3-amino-N-[4-[(1R,3R,4R,5S)-4-ethyl-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 70655785
3-amino-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 70655914
3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 70656150
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 70656288
5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide
CID 70656542
2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide
CID 66554861
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226384
5-amino-N-[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 72549613
5-amino-N-[4-[(1R,3R,4R,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 72549844
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4S,5R)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226386

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide (CID 70656307) is 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide is C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ncc2N)C[C@@H](O)[C@@]1(O)CF.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is LWJSFVCONTZMIO-KKJNKLJWSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-12-7-13(8-19(33)24(12,35)11-25)14-5-6-29-10-18(14)31-23(34)21-17(28)9-30-22(32-21)20-15(26)3-2-4-16(20)27/h2-6,9-10,12-13,19,33,35H,7-8,11,28H2,1H3,(H,31,34)/t12-,13+,19+,24+/m0/s1.
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 70656307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).