N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C26H27N5O3 — CID 148747532

IUPACN-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-n4cccn4)c3C)cc2)co1
InChIInChI=1S/C26H27N5O3/c1-16-20(13-18-7-9-19(10-8-18)23-15-34-17(2)28-23)14-22(29-25(16)31-12-4-11-27-31)26(33)30-21-5-3-6-24(21)32/h4,7-12,14-15,21,24,32H,3,5-6,13H2,1-2H3,(H,30,33)/t21-,24-/m0/s1
InChIKeyOEAXUYAAYPTYPZ-URXFXBBRSA-N
MW457.53 g/mol
LogP3.77
Rot. Bonds6

About N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 148747532) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID148747532
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-n4cccn4)c3C)cc2)co1
InChIInChI=1S/C26H27N5O3/c1-16-20(13-18-7-9-19(10-8-18)23-15-34-17(2)28-23)14-22(29-25(16)31-12-4-11-27-31)26(33)30-21-5-3-6-24(21)32/h4,7-12,14-15,21,24,32H,3,5-6,13H2,1-2H3,(H,30,33)/t21-,24-/m0/s1
InChIKeyOEAXUYAAYPTYPZ-URXFXBBRSA-N
XLogP3.77
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 148747532) is N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-n4cccn4)c3C)cc2)co1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is OEAXUYAAYPTYPZ-URXFXBBRSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-16-20(13-18-7-9-19(10-8-18)23-15-34-17(2)28-23)14-22(29-25(16)31-12-4-11-27-31)26(33)30-21-5-3-6-24(21)32/h4,7-12,14-15,21,24,32H,3,5-6,13H2,1-2H3,(H,30,33)/t21-,24-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 148747532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).