N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C16H19N3O — CID 70766801

IUPACN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1cnn2ccccc12
InChIInChI=1S/C16H19N3O/c20-16(13-10-17-19-9-2-1-6-15(13)19)18-14-8-7-11-4-3-5-12(11)14/h1-2,6,9-12,14H,3-5,7-8H2,(H,18,20)/t11-,12-,14-/m0/s1
InChIKeyZGMWTMVGAFJFFP-OBJOEFQTSA-N
MW269.35 g/mol
LogP2.64
Rot. Bonds2

About N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 70766801) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID70766801
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1cnn2ccccc12
InChIInChI=1S/C16H19N3O/c20-16(13-10-17-19-9-2-1-6-15(13)19)18-14-8-7-11-4-3-5-12(11)14/h1-2,6,9-12,14H,3-5,7-8H2,(H,18,20)/t11-,12-,14-/m0/s1
InChIKeyZGMWTMVGAFJFFP-OBJOEFQTSA-N
XLogP2.64
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 70766801) is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1cnn2ccccc12.
What is the InChIKey of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZGMWTMVGAFJFFP-OBJOEFQTSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(13-10-17-19-9-2-1-6-15(13)19)18-14-8-7-11-4-3-5-12(11)14/h1-2,6,9-12,14H,3-5,7-8H2,(H,18,20)/t11-,12-,14-/m0/s1.
What are the key properties of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 70766801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).