N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide

C18H17ClFN7O — CID 163220482

IUPACN-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESCC(C)N(C)c1c(F)c(Cl)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C18H17ClFN7O/c1-9(2)26(3)18-16(20)15(19)14(10-4-23-25-17(10)18)11-6-27-7-12(22-8-28)24-13(27)5-21-11/h4-9H,1-3H3,(H,22,28)(H,23,25)
InChIKeyPUGYRSFJWGHXAY-UHFFFAOYSA-N
MW401.83 g/mol
LogP3.48
Rot. Bonds5

About N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide

N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (PubChem CID 163220482) has the molecular formula C18H17ClFN7O and a molecular weight of 401.83 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
PubChem CID163220482
Molecular FormulaC18H17ClFN7O
Molecular Weight401.83 g/mol
Exact Mass401.12
IUPAC NameN-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESCC(C)N(C)c1c(F)c(Cl)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C18H17ClFN7O/c1-9(2)26(3)18-16(20)15(19)14(10-4-23-25-17(10)18)11-6-27-7-12(22-8-28)24-13(27)5-21-11/h4-9H,1-3H3,(H,22,28)(H,23,25)
InChIKeyPUGYRSFJWGHXAY-UHFFFAOYSA-N
XLogP3.48
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The IUPAC name of N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (CID 163220482) is N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.
What is the SMILES notation for N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is CC(C)N(C)c1c(F)c(Cl)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12.
What is the InChIKey of N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The InChIKey is PUGYRSFJWGHXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN7O/c1-9(2)26(3)18-16(20)15(19)14(10-4-23-25-17(10)18)11-6-27-7-12(22-8-28)24-13(27)5-21-11/h4-9H,1-3H3,(H,22,28)(H,23,25).
What are the key properties of N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide has a molecular weight of 401.83 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is sourced from PubChem (CID 163220482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).