6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine

C18H22N4O — CID 166993528

IUPAC6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine
SMILESc1cc(NC2COC2)nc(-c2cn(C3CCC3)nc2C2CC2)c1
InChIInChI=1S/C18H22N4O/c1-3-14(4-1)22-9-15(18(21-22)12-7-8-12)16-5-2-6-17(20-16)19-13-10-23-11-13/h2,5-6,9,12-14H,1,3-4,7-8,10-11H2,(H,19,20)
InChIKeyBJHFGFJTMVNWFG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.36
Rot. Bonds5

About 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine

6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine (PubChem CID 166993528) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine
PubChem CID166993528
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine
SMILESc1cc(NC2COC2)nc(-c2cn(C3CCC3)nc2C2CC2)c1
InChIInChI=1S/C18H22N4O/c1-3-14(4-1)22-9-15(18(21-22)12-7-8-12)16-5-2-6-17(20-16)19-13-10-23-11-13/h2,5-6,9,12-14H,1,3-4,7-8,10-11H2,(H,19,20)
InChIKeyBJHFGFJTMVNWFG-UHFFFAOYSA-N
XLogP3.36
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine
CID 170778181
6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine
CID 176718343
3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine
CID 170778068
2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine
CID 166993578
5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170548106
6-(1-methylpiperidin-4-yl)-N-(oxan-3-yl)pyridin-2-amine
CID 110271457
3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one
CID 175943740
5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine
CID 138707876
4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine
CID 166994263
5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine
CID 70795336
2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 140802487
6-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclobutylpyridin-2-amine
CID 165091855

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine?
The IUPAC name of 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine (CID 166993528) is 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine?
The canonical SMILES for 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine is c1cc(NC2COC2)nc(-c2cn(C3CCC3)nc2C2CC2)c1.
What is the InChIKey of 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine?
The InChIKey is BJHFGFJTMVNWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-14(4-1)22-9-15(18(21-22)12-7-8-12)16-5-2-6-17(20-16)19-13-10-23-11-13/h2,5-6,9,12-14H,1,3-4,7-8,10-11H2,(H,19,20).
What are the key properties of 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine?
6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine has a molecular weight of 310.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine is sourced from PubChem (CID 166993528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).