5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide

C24H24F2N6O3 — CID 123325471

IUPAC5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESNc1cnc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1CC(N)C2(O)CCCC2O1
InChIInChI=1S/C24H24F2N6O3/c25-13-3-1-4-14(26)20(13)22-30-10-15(27)21(32-22)23(33)31-16-11-29-8-6-12(16)17-9-18(28)24(34)7-2-5-19(24)35-17/h1,3-4,6,8,10-11,17-19,34H,2,5,7,9,27-28H2,(H,31,33)
InChIKeyCNJCMYYWDLTBII-UHFFFAOYSA-N
MW482.49 g/mol
LogP2.72
Rot. Bonds4

About 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide

5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 123325471) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID123325471
Molecular FormulaC24H24F2N6O3
Molecular Weight482.49 g/mol
Exact Mass482.19
IUPAC Name5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESNc1cnc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1CC(N)C2(O)CCCC2O1
InChIInChI=1S/C24H24F2N6O3/c25-13-3-1-4-14(26)20(13)22-30-10-15(27)21(32-22)23(33)31-16-11-29-8-6-12(16)17-9-18(28)24(34)7-2-5-19(24)35-17/h1,3-4,6,8,10-11,17-19,34H,2,5,7,9,27-28H2,(H,31,33)
InChIKeyCNJCMYYWDLTBII-UHFFFAOYSA-N
XLogP2.72
TPSA149.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

5-amino-N-[4-[(2R,4R,5S,6S)-6-(chloromethyl)-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 67208213
2-[4-[(2R,4R,4aS,7aR)-4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
CID 162166825
2-[4-[(2R,4R,4aS,7aR)-4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 158127254
3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 67208312
3-amino-N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 70655187
[(1S,3R,5S)-3-[3-[[3-amino-6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylcyclohexyl] carbamate
CID 70655500
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 118396829
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,5R)-5-amino-3-methylcyclohex-3-en-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 73213347
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 56600948
N-[4-(6-carbamoyl-4,5-dihydroxyoxan-2-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 77241038
1-[5-amino-2-(2,6-difluorophenyl)pyrimidin-4-yl]-2-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]ethanone
CID 159989441

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide (CID 123325471) is 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide is Nc1cnc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1CC(N)C2(O)CCCC2O1.
What is the InChIKey of 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is CNJCMYYWDLTBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O3/c25-13-3-1-4-14(26)20(13)22-30-10-15(27)21(32-22)23(33)31-16-11-29-8-6-12(16)17-9-18(28)24(34)7-2-5-19(24)35-17/h1,3-4,6,8,10-11,17-19,34H,2,5,7,9,27-28H2,(H,31,33).
What are the key properties of 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 123325471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).