N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide

C23H34FN7O3 — CID 75204407

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ccnc(NC3CCCOC3)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C23H34FN7O3/c1-14(2)28-17-10-20(26-11-16(17)21(32)27-12-18(24)23(3,4)33)30-19-7-8-25-22(31-19)29-15-6-5-9-34-13-15/h7-8,10-11,14-15,18,33H,5-6,9,12-13H2,1-4H3,(H,27,32)(H3,25,26,28,29,30,31)/t15?,18-/m1/s1
InChIKeyOLWYZDYLUOFGQE-KPMSDPLLSA-N
MW475.57 g/mol
LogP2.87
Rot. Bonds10

About N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 75204407) has the molecular formula C23H34FN7O3 and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID75204407
Molecular FormulaC23H34FN7O3
Molecular Weight475.57 g/mol
Exact Mass475.27
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ccnc(NC3CCCOC3)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C23H34FN7O3/c1-14(2)28-17-10-20(26-11-16(17)21(32)27-12-18(24)23(3,4)33)30-19-7-8-25-22(31-19)29-15-6-5-9-34-13-15/h7-8,10-11,14-15,18,33H,5-6,9,12-13H2,1-4H3,(H,27,32)(H3,25,26,28,29,30,31)/t15?,18-/m1/s1
InChIKeyOLWYZDYLUOFGQE-KPMSDPLLSA-N
XLogP2.87
TPSA133.32 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 75204407) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Nc2ccnc(NC3CCCOC3)n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O.
What is the InChIKey of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is OLWYZDYLUOFGQE-KPMSDPLLSA-N. The full InChI is InChI=1S/C23H34FN7O3/c1-14(2)28-17-10-20(26-11-16(17)21(32)27-12-18(24)23(3,4)33)30-19-7-8-25-22(31-19)29-15-6-5-9-34-13-15/h7-8,10-11,14-15,18,33H,5-6,9,12-13H2,1-4H3,(H,27,32)(H3,25,26,28,29,30,31)/t15?,18-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 2.87, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[[2-(oxan-3-ylamino)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 75204407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).