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

C26H29N7O — CID 134539885

IUPAC[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
SMILESCN(C)c1cc(C(=O)N2CCCCC2CN)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1
InChIInChI=1S/C26H29N7O/c1-31(2)24-15-19(26(34)32-12-7-6-10-20(32)16-27)14-23(29-24)21-17-28-33-13-11-22(30-25(21)33)18-8-4-3-5-9-18/h3-5,8-9,11,13-15,17,20H,6-7,10,12,16,27H2,1-2H3
InChIKeySDTKSFSSAJBZEH-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.48
Rot. Bonds5

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

[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone (PubChem CID 134539885) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
PubChem CID134539885
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
SMILESCN(C)c1cc(C(=O)N2CCCCC2CN)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1
InChIInChI=1S/C26H29N7O/c1-31(2)24-15-19(26(34)32-12-7-6-10-20(32)16-27)14-23(29-24)21-17-28-33-13-11-22(30-25(21)33)18-8-4-3-5-9-18/h3-5,8-9,11,13-15,17,20H,6-7,10,12,16,27H2,1-2H3
InChIKeySDTKSFSSAJBZEH-UHFFFAOYSA-N
XLogP3.48
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-methoxy-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
CID 134539552
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-methyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
CID 134539499
[2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59727234
[2-(aminomethyl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119467896
2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134558276
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-methoxy-3-phenylphenyl)methanone
CID 124688652
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[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-(1,3-benzodioxol-5-yl)-6-[benzyl(methyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59727408
2-[(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-2-yl]acetamide
CID 97211737

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone (CID 134539885) is [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone is CN(C)c1cc(C(=O)N2CCCCC2CN)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
The InChIKey is SDTKSFSSAJBZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-31(2)24-15-19(26(34)32-12-7-6-10-20(32)16-27)14-23(29-24)21-17-28-33-13-11-22(30-25(21)33)18-8-4-3-5-9-18/h3-5,8-9,11,13-15,17,20H,6-7,10,12,16,27H2,1-2H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone has a molecular weight of 455.57 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 134539885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).