N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine

C21H23N7OS — CID 171719222

IUPACN-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCC(C)c1ccnnc1O[C@H]1CC[C@@H](c2cc(Nc3nccc4ncsc34)n[nH]2)C1
InChIInChI=1S/C21H23N7OS/c1-12(2)15-5-8-24-28-21(15)29-14-4-3-13(9-14)17-10-18(27-26-17)25-20-19-16(6-7-22-20)23-11-30-19/h5-8,10-14H,3-4,9H2,1-2H3,(H2,22,25,26,27)/t13-,14+/m1/s1
InChIKeyUOBVPIOMHJDXIN-KGLIPLIRSA-N
MW421.53 g/mol
LogP4.79
Rot. Bonds6

About N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine

N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine (PubChem CID 171719222) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
PubChem CID171719222
Molecular FormulaC21H23N7OS
Molecular Weight421.53 g/mol
Exact Mass421.17
IUPAC NameN-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCC(C)c1ccnnc1O[C@H]1CC[C@@H](c2cc(Nc3nccc4ncsc34)n[nH]2)C1
InChIInChI=1S/C21H23N7OS/c1-12(2)15-5-8-24-28-21(15)29-14-4-3-13(9-14)17-10-18(27-26-17)25-20-19-16(6-7-22-20)23-11-30-19/h5-8,10-14H,3-4,9H2,1-2H3,(H2,22,25,26,27)/t13-,14+/m1/s1
InChIKeyUOBVPIOMHJDXIN-KGLIPLIRSA-N
XLogP4.79
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[3-(4-propan-2-ylpyridazin-3-yl)oxycyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
CID 164879793
N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
CID 164880008
N-[5-(4-methoxycyclohexyl)-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
CID 164879760
[(1R,3S)-3-[3-([1,3]thiazolo[5,4-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 171719079
[(1R,3S)-3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 154616812
[(1R,3S)-3-[3-[(2,2-dioxo-1,3-dihydrothieno[3,4-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623720
[3-[3-[(1-methylpyrazolo[5,4-c]pyridin-7-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293665
[3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025480
propan-2-yl N-[(1R,3S)-3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079578
N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine
CID 173150514
[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076434
[(1S,3R)-3-[3-[(6-fluoro-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176714713

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The IUPAC name of N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine (CID 171719222) is N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine.
What is the SMILES notation for N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The canonical SMILES for N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine is CC(C)c1ccnnc1O[C@H]1CC[C@@H](c2cc(Nc3nccc4ncsc34)n[nH]2)C1.
What is the InChIKey of N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The InChIKey is UOBVPIOMHJDXIN-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H23N7OS/c1-12(2)15-5-8-24-28-21(15)29-14-4-3-13(9-14)17-10-18(27-26-17)25-20-19-16(6-7-22-20)23-11-30-19/h5-8,10-14H,3-4,9H2,1-2H3,(H2,22,25,26,27)/t13-,14+/m1/s1.
What are the key properties of N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine?
N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine has a molecular weight of 421.53 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R,3S)-3-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 171719222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).