cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

C22H31N5O — CID 125025716

IUPACcyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)(C)CNc1cc(-c2cn[nH]c2[C@@H]2CCN(C(=O)C3CCC3)C2)ccn1
InChIInChI=1S/C22H31N5O/c1-22(2,3)14-24-19-11-16(7-9-23-19)18-12-25-26-20(18)17-8-10-27(13-17)21(28)15-5-4-6-15/h7,9,11-12,15,17H,4-6,8,10,13-14H2,1-3H3,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyZOJZSWQVNSXKEM-QGZVFWFLSA-N
MW381.52 g/mol
LogP4.05
Rot. Bonds5

About cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 125025716) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID125025716
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Namecyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)(C)CNc1cc(-c2cn[nH]c2[C@@H]2CCN(C(=O)C3CCC3)C2)ccn1
InChIInChI=1S/C22H31N5O/c1-22(2,3)14-24-19-11-16(7-9-23-19)18-12-25-26-20(18)17-8-10-27(13-17)21(28)15-5-4-6-15/h7,9,11-12,15,17H,4-6,8,10,13-14H2,1-3H3,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyZOJZSWQVNSXKEM-QGZVFWFLSA-N
XLogP4.05
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 118739901
cyclobutyl-[(3S)-3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 125017164
1-[(3S)-3-[4-[2-[(2-methoxy-4-methylphenyl)methylamino]-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 124996091
1-[(3S)-3-[4-[2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 125007095
N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 110130460
[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 124962428
3-[4-[2-[(4-fluorophenyl)methylamino]-4-pyridinyl]-1H-pyrazol-5-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110130458
4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 73439374
(3R)-N,N-dimethyl-3-[4-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidine-1-sulfonamide
CID 125027248
4-(5-cyclopropyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 42635126
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 95821027

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (CID 125025716) is cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is CC(C)(C)CNc1cc(-c2cn[nH]c2[C@@H]2CCN(C(=O)C3CCC3)C2)ccn1.
What is the InChIKey of cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ZOJZSWQVNSXKEM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H31N5O/c1-22(2,3)14-24-19-11-16(7-9-23-19)18-12-25-26-20(18)17-8-10-27(13-17)21(28)15-5-4-6-15/h7,9,11-12,15,17H,4-6,8,10,13-14H2,1-3H3,(H,23,24)(H,25,26)/t17-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 381.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125025716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).