N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide

C18H23N7O — CID 172881779

IUPACN,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide
SMILESCN(CC1CCN(c2nccn3nccc23)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C18H23N7O/c1-22-12-15(20-13-22)18(26)23(2)11-14-4-8-24(9-5-14)17-16-3-6-21-25(16)10-7-19-17/h3,6-7,10,12-14H,4-5,8-9,11H2,1-2H3
InChIKeyVVHXBCQCOVULMF-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.45
Rot. Bonds4

About N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide

N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide (PubChem CID 172881779) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide
PubChem CID172881779
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC NameN,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide
SMILESCN(CC1CCN(c2nccn3nccc23)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C18H23N7O/c1-22-12-15(20-13-22)18(26)23(2)11-14-4-8-24(9-5-14)17-16-3-6-21-25(16)10-7-19-17/h3,6-7,10,12-14H,4-5,8-9,11H2,1-2H3
InChIKeyVVHXBCQCOVULMF-UHFFFAOYSA-N
XLogP1.45
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide (CID 172881779) is N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide is CN(CC1CCN(c2nccn3nccc23)CC1)C(=O)c1cn(C)cn1.
What is the InChIKey of N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide?
The InChIKey is VVHXBCQCOVULMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-22-12-15(20-13-22)18(26)23(2)11-14-4-8-24(9-5-14)17-16-3-6-21-25(16)10-7-19-17/h3,6-7,10,12-14H,4-5,8-9,11H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide?
N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 172881779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).