N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide

C18H21ClN6O2 — CID 146110132

IUPACN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1nn(C)c2nc(C(=O)N[C@@H]3CC(Cn4cc(Cl)cn4)C[C@H]3O)ccc12
InChIInChI=1S/C18H21ClN6O2/c1-10-13-3-4-14(21-17(13)24(2)23-10)18(27)22-15-5-11(6-16(15)26)8-25-9-12(19)7-20-25/h3-4,7,9,11,15-16,26H,5-6,8H2,1-2H3,(H,22,27)/t11?,15-,16-/m1/s1
InChIKeyDRNKHGWQMRLKOU-HJWAUIETSA-N
MW388.86 g/mol
LogP1.70
Rot. Bonds4

About N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide

N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 146110132) has the molecular formula C18H21ClN6O2 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID146110132
Molecular FormulaC18H21ClN6O2
Molecular Weight388.86 g/mol
Exact Mass388.14
IUPAC NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1nn(C)c2nc(C(=O)N[C@@H]3CC(Cn4cc(Cl)cn4)C[C@H]3O)ccc12
InChIInChI=1S/C18H21ClN6O2/c1-10-13-3-4-14(21-17(13)24(2)23-10)18(27)22-15-5-11(6-16(15)26)8-25-9-12(19)7-20-25/h3-4,7,9,11,15-16,26H,5-6,8H2,1-2H3,(H,22,27)/t11?,15-,16-/m1/s1
InChIKeyDRNKHGWQMRLKOU-HJWAUIETSA-N
XLogP1.70
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 146110132) is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide is Cc1nn(C)c2nc(C(=O)N[C@@H]3CC(Cn4cc(Cl)cn4)C[C@H]3O)ccc12.
What is the InChIKey of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is DRNKHGWQMRLKOU-HJWAUIETSA-N. The full InChI is InChI=1S/C18H21ClN6O2/c1-10-13-3-4-14(21-17(13)24(2)23-10)18(27)22-15-5-11(6-16(15)26)8-25-9-12(19)7-20-25/h3-4,7,9,11,15-16,26H,5-6,8H2,1-2H3,(H,22,27)/t11?,15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide?
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 146110132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).