N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide

C29H27FN6O2 — CID 56591247

IUPACN-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC2CC2(NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1
InChIInChI=1S/C29H27FN6O2/c1-38-25-4-2-3-23(30)22(25)16-35-11-9-20-14-29(20,17-35)32-28(37)18-5-7-24-21(13-18)27(34-33-24)19-6-8-26-31-10-12-36(26)15-19/h2-8,10,12-13,15,20H,9,11,14,16-17H2,1H3,(H,32,37)(H,33,34)
InChIKeyQVYUJVZTGFRVBK-UHFFFAOYSA-N
MW510.57 g/mol
LogP4.42
Rot. Bonds6

About N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide

N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide (PubChem CID 56591247) has the molecular formula C29H27FN6O2 and a molecular weight of 510.57 g/mol. Its IUPAC name is N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
PubChem CID56591247
Molecular FormulaC29H27FN6O2
Molecular Weight510.57 g/mol
Exact Mass510.22
IUPAC NameN-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC2CC2(NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1
InChIInChI=1S/C29H27FN6O2/c1-38-25-4-2-3-23(30)22(25)16-35-11-9-20-14-29(20,17-35)32-28(37)18-5-7-24-21(13-18)27(34-33-24)19-6-8-26-31-10-12-36(26)15-19/h2-8,10,12-13,15,20H,9,11,14,16-17H2,1H3,(H,32,37)(H,33,34)
InChIKeyQVYUJVZTGFRVBK-UHFFFAOYSA-N
XLogP4.42
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.57
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide (CID 56591247) is N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1CCC2CC2(NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1.
What is the InChIKey of N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
The InChIKey is QVYUJVZTGFRVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O2/c1-38-25-4-2-3-23(30)22(25)16-35-11-9-20-14-29(20,17-35)32-28(37)18-5-7-24-21(13-18)27(34-33-24)19-6-8-26-31-10-12-36(26)15-19/h2-8,10,12-13,15,20H,9,11,14,16-17H2,1H3,(H,32,37)(H,33,34).
What are the key properties of N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide has a molecular weight of 510.57 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).