N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide

C19H25N5O — CID 124781140

IUPACN-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCC[C@H]1CN(C2CCC2)Cc2ccnn2C1)c1cccnc1
InChIInChI=1S/C19H25N5O/c25-19(16-3-2-8-20-11-16)21-9-6-15-12-23(17-4-1-5-17)14-18-7-10-22-24(18)13-15/h2-3,7-8,10-11,15,17H,1,4-6,9,12-14H2,(H,21,25)/t15-/m0/s1
InChIKeyBEOYFNKFGCMAPE-HNNXBMFYSA-N
MW339.44 g/mol
LogP2.08
Rot. Bonds5

About N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide

N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide (PubChem CID 124781140) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide
PubChem CID124781140
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCC[C@H]1CN(C2CCC2)Cc2ccnn2C1)c1cccnc1
InChIInChI=1S/C19H25N5O/c25-19(16-3-2-8-20-11-16)21-9-6-15-12-23(17-4-1-5-17)14-18-7-10-22-24(18)13-15/h2-3,7-8,10-11,15,17H,1,4-6,9,12-14H2,(H,21,25)/t15-/m0/s1
InChIKeyBEOYFNKFGCMAPE-HNNXBMFYSA-N
XLogP2.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide (CID 124781140) is N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide is O=C(NCC[C@H]1CN(C2CCC2)Cc2ccnn2C1)c1cccnc1.
What is the InChIKey of N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is BEOYFNKFGCMAPE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(16-3-2-8-20-11-16)21-9-6-15-12-23(17-4-1-5-17)14-18-7-10-22-24(18)13-15/h2-3,7-8,10-11,15,17H,1,4-6,9,12-14H2,(H,21,25)/t15-/m0/s1.
What are the key properties of N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide?
N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 124781140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).