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

C24H23F2N5O4 — CID 56601335

IUPACN-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESNc1cnc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1[C@H]1C[C@@H](O)[C@@]2(O)CCC[C@H]2O1
InChIInChI=1S/C24H23F2N5O4/c25-13-3-1-4-14(26)20(13)22-29-10-15(27)21(31-22)23(33)30-16-11-28-8-6-12(16)17-9-18(32)24(34)7-2-5-19(24)35-17/h1,3-4,6,8,10-11,17-19,32,34H,2,5,7,9,27H2,(H,30,33)/t17-,18-,19-,24+/m1/s1
InChIKeyBPMNTWVGIHVPEM-PLOUGOBLSA-N
MW483.48 g/mol
LogP2.76
Rot. Bonds4

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

N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 56601335) has the molecular formula C24H23F2N5O4 and a molecular weight of 483.48 g/mol. Its IUPAC name is N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID56601335
Molecular FormulaC24H23F2N5O4
Molecular Weight483.48 g/mol
Exact Mass483.17
IUPAC NameN-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESNc1cnc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1[C@H]1C[C@@H](O)[C@@]2(O)CCC[C@H]2O1
InChIInChI=1S/C24H23F2N5O4/c25-13-3-1-4-14(26)20(13)22-29-10-15(27)21(31-22)23(33)30-16-11-28-8-6-12(16)17-9-18(32)24(34)7-2-5-19(24)35-17/h1,3-4,6,8,10-11,17-19,32,34H,2,5,7,9,27H2,(H,30,33)/t17-,18-,19-,24+/m1/s1
InChIKeyBPMNTWVGIHVPEM-PLOUGOBLSA-N
XLogP2.76
TPSA143.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide (CID 56601335) is N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide is Nc1cnc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1[C@H]1C[C@@H](O)[C@@]2(O)CCC[C@H]2O1.
What is the InChIKey of N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is BPMNTWVGIHVPEM-PLOUGOBLSA-N. The full InChI is InChI=1S/C24H23F2N5O4/c25-13-3-1-4-14(26)20(13)22-29-10-15(27)21(31-22)23(33)30-16-11-28-8-6-12(16)17-9-18(32)24(34)7-2-5-19(24)35-17/h1,3-4,6,8,10-11,17-19,32,34H,2,5,7,9,27H2,(H,30,33)/t17-,18-,19-,24+/m1/s1.
What are the key properties of N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 483.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 56601335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).