(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide

C19H22N6O — CID 138591844

IUPAC(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1ncc2ccc(-c3cnn(C)c3)cc2n1)N1CCCC1
InChIInChI=1S/C19H22N6O/c1-13(25-7-3-4-8-25)18(26)23-19-20-10-15-6-5-14(9-17(15)22-19)16-11-21-24(2)12-16/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,20,22,23,26)/t13-/m0/s1
InChIKeyGRYTZFOBOQHROM-ZDUSSCGKSA-N
MW350.43 g/mol
LogP2.45
Rot. Bonds4

About (2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide

(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 138591844) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
PubChem CID138591844
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1ncc2ccc(-c3cnn(C)c3)cc2n1)N1CCCC1
InChIInChI=1S/C19H22N6O/c1-13(25-7-3-4-8-25)18(26)23-19-20-10-15-6-5-14(9-17(15)22-19)16-11-21-24(2)12-16/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,20,22,23,26)/t13-/m0/s1
InChIKeyGRYTZFOBOQHROM-ZDUSSCGKSA-N
XLogP2.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
CID 138587907
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175
2-(4-hydroxypiperidin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138587464
6-(1-methylpyrazol-4-yl)-N-[(3S)-3-pyrrolidin-1-ylbut-1-en-2-yl]isoquinolin-3-amine
CID 166954289
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138589294
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
CID 138590788
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588324
2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587369
2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587826
2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 158788980
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588228
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-piperidin-4-yloxypyridine-4-carboxamide
CID 138587595

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide (CID 138591844) is (2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide is C[C@@H](C(=O)Nc1ncc2ccc(-c3cnn(C)c3)cc2n1)N1CCCC1.
What is the InChIKey of (2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is GRYTZFOBOQHROM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(25-7-3-4-8-25)18(26)23-19-20-10-15-6-5-14(9-17(15)22-19)16-11-21-24(2)12-16/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,20,22,23,26)/t13-/m0/s1.
What are the key properties of (2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide?
(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 350.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 138591844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).