[6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone

C19H31N5O — CID 97389010

IUPAC[6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2n[nH]c3c2CCN(CC2CCC2)C3)CC1
InChIInChI=1S/C19H31N5O/c1-22(2)15-6-10-24(11-7-15)19(25)18-16-8-9-23(12-14-4-3-5-14)13-17(16)20-21-18/h14-15H,3-13H2,1-2H3,(H,20,21)
InChIKeyODXRYPVBHLJJJT-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.73
Rot. Bonds4

About [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone

[6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 97389010) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID97389010
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2n[nH]c3c2CCN(CC2CCC2)C3)CC1
InChIInChI=1S/C19H31N5O/c1-22(2)15-6-10-24(11-7-15)19(25)18-16-8-9-23(12-14-4-3-5-14)13-17(16)20-21-18/h14-15H,3-13H2,1-2H3,(H,20,21)
InChIKeyODXRYPVBHLJJJT-UHFFFAOYSA-N
XLogP1.73
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445
9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
N-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832112
(4-Methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97367677
2,5-Dihydropyrrol-1-yl-[5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388940
(4-Methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 97388964
4-(5-Propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one
CID 97388975
5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97389037
[5-(2-Methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461851
Morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 97461861
1-[3-(Morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866
N-cyclobutyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 97515437

Frequently Asked Questions

What is the IUPAC name of [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone (CID 97389010) is [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2n[nH]c3c2CCN(CC2CCC2)C3)CC1.
What is the InChIKey of [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is ODXRYPVBHLJJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-22(2)15-6-10-24(11-7-15)19(25)18-16-8-9-23(12-14-4-3-5-14)13-17(16)20-21-18/h14-15H,3-13H2,1-2H3,(H,20,21).
What are the key properties of [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
[6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 345.49 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 97389010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).