N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C20H19N7O2S — CID 122638686

IUPACN-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C2CCC(O)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C20H19N7O2S/c28-14-5-4-13(7-14)27-10-16(18(26-27)15-3-1-2-6-21-15)24-19(29)17-11-30-20(25-17)12-8-22-23-9-12/h1-3,6,8-11,13-14,28H,4-5,7H2,(H,22,23)(H,24,29)
InChIKeyFGPMSSQAHIDZMV-UHFFFAOYSA-N
MW421.49 g/mol
LogP3.13
Rot. Bonds5

About N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 122638686) has the molecular formula C20H19N7O2S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID122638686
Molecular FormulaC20H19N7O2S
Molecular Weight421.49 g/mol
Exact Mass421.13
IUPAC NameN-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C2CCC(O)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C20H19N7O2S/c28-14-5-4-13(7-14)27-10-16(18(26-27)15-3-1-2-6-21-15)24-19(29)17-11-30-20(25-17)12-8-22-23-9-12/h1-3,6,8-11,13-14,28H,4-5,7H2,(H,22,23)(H,24,29)
InChIKeyFGPMSSQAHIDZMV-UHFFFAOYSA-N
XLogP3.13
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 122638686) is N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cn(C2CCC(O)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FGPMSSQAHIDZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2S/c28-14-5-4-13(7-14)27-10-16(18(26-27)15-3-1-2-6-21-15)24-19(29)17-11-30-20(25-17)12-8-22-23-9-12/h1-3,6,8-11,13-14,28H,4-5,7H2,(H,22,23)(H,24,29).
What are the key properties of N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122638686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).