N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide

C23H30N4O — CID 71734126

IUPACN-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESC#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2cc3ccccn3n2)CC1
InChIInChI=1S/C23H30N4O/c1-3-15-26(20-12-10-19(4-2)11-13-20)16-8-6-14-24-23(28)22-18-21-9-5-7-17-27(21)25-22/h2,5,7,9-10,17-18,20H,3,6,8,11-16H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyKVEHVMQJUPMJNA-HXUWFJFHSA-N
MW378.52 g/mol
LogP3.67
Rot. Bonds9

About N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide

N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 71734126) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID71734126
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESC#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2cc3ccccn3n2)CC1
InChIInChI=1S/C23H30N4O/c1-3-15-26(20-12-10-19(4-2)11-13-20)16-8-6-14-24-23(28)22-18-21-9-5-7-17-27(21)25-22/h2,5,7,9-10,17-18,20H,3,6,8,11-16H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyKVEHVMQJUPMJNA-HXUWFJFHSA-N
XLogP3.67
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 71734126) is N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide is C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2cc3ccccn3n2)CC1.
What is the InChIKey of N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is KVEHVMQJUPMJNA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N4O/c1-3-15-26(20-12-10-19(4-2)11-13-20)16-8-6-14-24-23(28)22-18-21-9-5-7-17-27(21)25-22/h2,5,7,9-10,17-18,20H,3,6,8,11-16H2,1H3,(H,24,28)/t20-/m1/s1.
What are the key properties of N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 71734126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).