N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C19H19N5O — CID 167521592

IUPACN-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESC#Cc1cccn2ncc(C(C#N)NC(=O)C3NCC4C3C4(C)C)c12
InChIInChI=1S/C19H19N5O/c1-4-11-6-5-7-24-17(11)12(9-22-24)14(8-20)23-18(25)16-15-13(10-21-16)19(15,2)3/h1,5-7,9,13-16,21H,10H2,2-3H3,(H,23,25)
InChIKeyIHZUXPNWWGHACX-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.24
Rot. Bonds3

About N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 167521592) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID167521592
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESC#Cc1cccn2ncc(C(C#N)NC(=O)C3NCC4C3C4(C)C)c12
InChIInChI=1S/C19H19N5O/c1-4-11-6-5-7-24-17(11)12(9-22-24)14(8-20)23-18(25)16-15-13(10-21-16)19(15,2)3/h1,5-7,9,13-16,21H,10H2,2-3H3,(H,23,25)
InChIKeyIHZUXPNWWGHACX-UHFFFAOYSA-N
XLogP1.24
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 167521592) is N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is C#Cc1cccn2ncc(C(C#N)NC(=O)C3NCC4C3C4(C)C)c12.
What is the InChIKey of N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is IHZUXPNWWGHACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-4-11-6-5-7-24-17(11)12(9-22-24)14(8-20)23-18(25)16-15-13(10-21-16)19(15,2)3/h1,5-7,9,13-16,21H,10H2,2-3H3,(H,23,25).
What are the key properties of N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 167521592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).