N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide

C19H24N4O2 — CID 87053455

IUPACN-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide
SMILESCCN1C(=O)CC[C@]2(CNC(=O)c3n[nH]c4ccccc34)CCC[C@@H]12
InChIInChI=1S/C19H24N4O2/c1-2-23-15-8-5-10-19(15,11-9-16(23)24)12-20-18(25)17-13-6-3-4-7-14(13)21-22-17/h3-4,6-7,15H,2,5,8-12H2,1H3,(H,20,25)(H,21,22)/t15-,19+/m1/s1
InChIKeyXIUUSFWITSUJKP-BEFAXECRSA-N
MW340.43 g/mol
LogP2.47
Rot. Bonds4

About N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide

N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 87053455) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID87053455
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide
SMILESCCN1C(=O)CC[C@]2(CNC(=O)c3n[nH]c4ccccc34)CCC[C@@H]12
InChIInChI=1S/C19H24N4O2/c1-2-23-15-8-5-10-19(15,11-9-16(23)24)12-20-18(25)17-13-6-3-4-7-14(13)21-22-17/h3-4,6-7,15H,2,5,8-12H2,1H3,(H,20,25)(H,21,22)/t15-,19+/m1/s1
InChIKeyXIUUSFWITSUJKP-BEFAXECRSA-N
XLogP2.47
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide (CID 87053455) is N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide is CCN1C(=O)CC[C@]2(CNC(=O)c3n[nH]c4ccccc34)CCC[C@@H]12.
What is the InChIKey of N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is XIUUSFWITSUJKP-BEFAXECRSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-23-15-8-5-10-19(15,11-9-16(23)24)12-20-18(25)17-13-6-3-4-7-14(13)21-22-17/h3-4,6-7,15H,2,5,8-12H2,1H3,(H,20,25)(H,21,22)/t15-,19+/m1/s1.
What are the key properties of N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide?
N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aS,7aR)-1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 87053455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).