[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone

C25H26N6O2 — CID 134539552

IUPAC[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCCC[C@H]2CN)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1
InChIInChI=1S/C25H26N6O2/c1-33-23-14-18(25(32)30-11-6-5-9-19(30)15-26)13-22(28-23)20-16-27-31-12-10-21(29-24(20)31)17-7-3-2-4-8-17/h2-4,7-8,10,12-14,16,19H,5-6,9,11,15,26H2,1H3/t19-/m0/s1
InChIKeyBBYRPZRMNRRUQP-IBGZPJMESA-N
MW442.52 g/mol
LogP3.42
Rot. Bonds5

About [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone

[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone (PubChem CID 134539552) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
PubChem CID134539552
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCCC[C@H]2CN)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1
InChIInChI=1S/C25H26N6O2/c1-33-23-14-18(25(32)30-11-6-5-9-19(30)15-26)13-22(28-23)20-16-27-31-12-10-21(29-24(20)31)17-7-3-2-4-8-17/h2-4,7-8,10,12-14,16,19H,5-6,9,11,15,26H2,1H3/t19-/m0/s1
InChIKeyBBYRPZRMNRRUQP-IBGZPJMESA-N
XLogP3.42
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
CID 134539885
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
CID 134539499
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-methoxy-3-phenylphenyl)methanone
CID 124688652
2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134558276
[2-(aminomethyl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119467896
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
3-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 140927210
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone (CID 134539552) is [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone is COc1cc(C(=O)N2CCCC[C@H]2CN)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1.
What is the InChIKey of [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The InChIKey is BBYRPZRMNRRUQP-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26N6O2/c1-33-23-14-18(25(32)30-11-6-5-9-19(30)15-26)13-22(28-23)20-16-27-31-12-10-21(29-24(20)31)17-7-3-2-4-8-17/h2-4,7-8,10,12-14,16,19H,5-6,9,11,15,26H2,1H3/t19-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone has a molecular weight of 442.52 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 134539552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).