[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone

C24H24N6O — CID 134539499

IUPAC[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2CN)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1
InChIInChI=1S/C24H24N6O/c1-16-12-18(24(31)29-10-5-8-19(29)14-25)13-22(27-16)20-15-26-30-11-9-21(28-23(20)30)17-6-3-2-4-7-17/h2-4,6-7,9,11-13,15,19H,5,8,10,14,25H2,1H3/t19-/m1/s1
InChIKeyLWTSAEMAGBMMCS-LJQANCHMSA-N
MW412.50 g/mol
LogP3.33
Rot. Bonds4

About [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone (PubChem CID 134539499) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
PubChem CID134539499
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2CN)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1
InChIInChI=1S/C24H24N6O/c1-16-12-18(24(31)29-10-5-8-19(29)14-25)13-22(27-16)20-15-26-30-11-9-21(28-23(20)30)17-6-3-2-4-7-17/h2-4,6-7,9,11-13,15,19H,5,8,10,14,25H2,1H3/t19-/m1/s1
InChIKeyLWTSAEMAGBMMCS-LJQANCHMSA-N
XLogP3.33
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
CID 134539552
[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
CID 134539885
[2-(aminomethyl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119467896
N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539678
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134558276
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119633701
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119631215
[2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59727234
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 119634488
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-methoxy-3-phenylphenyl)methanone
CID 124688652

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone (CID 134539499) is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone is Cc1cc(C(=O)N2CCC[C@@H]2CN)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1.
What is the InChIKey of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The InChIKey is LWTSAEMAGBMMCS-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N6O/c1-16-12-18(24(31)29-10-5-8-19(29)14-25)13-22(27-16)20-15-26-30-11-9-21(28-23(20)30)17-6-3-2-4-7-17/h2-4,6-7,9,11-13,15,19H,5,8,10,14,25H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone has a molecular weight of 412.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 134539499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).