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

C25H25N5O3 — CID 153140060

IUPACN-[(1S,2S)-2-hydroxycyclopentyl]-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)c3)cc2)co1
InChIInChI=1S/C25H25N5O3/c1-16-27-22(15-33-16)19-8-6-17(7-9-19)12-18-13-21(25(32)29-20-4-2-5-23(20)31)28-24(14-18)30-11-3-10-26-30/h3,6-11,13-15,20,23,31H,2,4-5,12H2,1H3,(H,29,32)/t20-,23-/m0/s1
InChIKeyVYLISGXIDMSMAZ-REWPJTCUSA-N
MW443.51 g/mol
LogP3.46
Rot. Bonds6

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

N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 153140060) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopentyl]-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]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID153140060
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-[(1S,2S)-2-hydroxycyclopentyl]-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)c3)cc2)co1
InChIInChI=1S/C25H25N5O3/c1-16-27-22(15-33-16)19-8-6-17(7-9-19)12-18-13-21(25(32)29-20-4-2-5-23(20)31)28-24(14-18)30-11-3-10-26-30/h3,6-11,13-15,20,23,31H,2,4-5,12H2,1H3,(H,29,32)/t20-,23-/m0/s1
InChIKeyVYLISGXIDMSMAZ-REWPJTCUSA-N
XLogP3.46
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.46
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]-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]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 153140060) is N-[(1S,2S)-2-hydroxycyclopentyl]-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]-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]-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)c3)cc2)co1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is VYLISGXIDMSMAZ-REWPJTCUSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-27-22(15-33-16)19-8-6-17(7-9-19)12-18-13-21(25(32)29-20-4-2-5-23(20)31)28-24(14-18)30-11-3-10-26-30/h3,6-11,13-15,20,23,31H,2,4-5,12H2,1H3,(H,29,32)/t20-,23-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.46, 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]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 153140060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).