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

C21H23N7OS — CID 164880008

IUPACN-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCC(C)c1ccnnc1OCC1CC(c2cc(Nc3nccc4ncsc34)n[nH]2)C1
InChIInChI=1S/C21H23N7OS/c1-12(2)15-3-6-24-28-21(15)29-10-13-7-14(8-13)17-9-18(27-26-17)25-20-19-16(4-5-22-20)23-11-30-19/h3-6,9,11-14H,7-8,10H2,1-2H3,(H2,22,25,26,27)
InChIKeyJHBFNTIXXTZKNV-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.64
Rot. Bonds7

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

N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine (PubChem CID 164880008) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
PubChem CID164880008
Molecular FormulaC21H23N7OS
Molecular Weight421.53 g/mol
Exact Mass421.17
IUPAC NameN-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCC(C)c1ccnnc1OCC1CC(c2cc(Nc3nccc4ncsc34)n[nH]2)C1
InChIInChI=1S/C21H23N7OS/c1-12(2)15-3-6-24-28-21(15)29-10-13-7-14(8-13)17-9-18(27-26-17)25-20-19-16(4-5-22-20)23-11-30-19/h3-6,9,11-14H,7-8,10H2,1-2H3,(H2,22,25,26,27)
InChIKeyJHBFNTIXXTZKNV-UHFFFAOYSA-N
XLogP4.64
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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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-[(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
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
N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 169143537
N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine
CID 177150500
[(1R,3S)-3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 154616812
propan-2-yl N-[(1R,3S)-3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079578
2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
CID 164786458
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;2-methylbutane;molecular hydrogen
CID 169155625
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-propyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 69082331
[3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025480

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The IUPAC name of 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) is N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine.
What is the SMILES notation for N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The canonical SMILES for N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine is CC(C)c1ccnnc1OCC1CC(c2cc(Nc3nccc4ncsc34)n[nH]2)C1.
What is the InChIKey of N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The InChIKey is JHBFNTIXXTZKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7OS/c1-12(2)15-3-6-24-28-21(15)29-10-13-7-14(8-13)17-9-18(27-26-17)25-20-19-16(4-5-22-20)23-11-30-19/h3-6,9,11-14H,7-8,10H2,1-2H3,(H2,22,25,26,27).
What are the key properties of N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine?
N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine has a molecular weight of 421.53 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 164880008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).