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

C25H26N6O2 — CID 152824706

IUPACN-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1
InChIInChI=1S/C25H26N6O2/c1-30-13-10-20(29-30)19-8-6-17(7-9-19)14-18-15-22(25(33)28-21-4-2-5-23(21)32)27-24(16-18)31-12-3-11-26-31/h3,6-13,15-16,21,23,32H,2,4-5,14H2,1H3,(H,28,33)/t21-,23-/m0/s1
InChIKeySUTWQYBQJKZIMD-GMAHTHKFSA-N
MW442.52 g/mol
LogP2.90
Rot. Bonds6

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

N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 152824706) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID152824706
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1
InChIInChI=1S/C25H26N6O2/c1-30-13-10-20(29-30)19-8-6-17(7-9-19)14-18-15-22(25(33)28-21-4-2-5-23(21)32)27-24(16-18)31-12-3-11-26-31/h3,6-13,15-16,21,23,32H,2,4-5,14H2,1H3,(H,28,33)/t21-,23-/m0/s1
InChIKeySUTWQYBQJKZIMD-GMAHTHKFSA-N
XLogP2.90
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.90
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-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 152824706) is N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is SUTWQYBQJKZIMD-GMAHTHKFSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-30-13-10-20(29-30)19-8-6-17(7-9-19)14-18-15-22(25(33)28-21-4-2-5-23(21)32)27-24(16-18)31-12-3-11-26-31/h3,6-13,15-16,21,23,32H,2,4-5,14H2,1H3,(H,28,33)/t21-,23-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.90, 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-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 152824706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).