N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide

C18H15ClFN5O2 — CID 163221020

IUPACN-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
SMILESCCOCc1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3c2)c2cn[nH]c12
InChIInChI=1S/C18H15ClFN5O2/c1-2-27-8-12-17(20)16(19)15(11-5-22-24-18(11)12)10-3-4-14-23-13(21-9-26)7-25(14)6-10/h3-7,9H,2,8H2,1H3,(H,21,26)(H,22,24)
InChIKeyVMSLMZMGWGORHQ-UHFFFAOYSA-N
MW387.80 g/mol
LogP3.77
Rot. Bonds6

About N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide

N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide (PubChem CID 163221020) has the molecular formula C18H15ClFN5O2 and a molecular weight of 387.80 g/mol. Its IUPAC name is N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
PubChem CID163221020
Molecular FormulaC18H15ClFN5O2
Molecular Weight387.80 g/mol
Exact Mass387.09
IUPAC NameN-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
SMILESCCOCc1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3c2)c2cn[nH]c12
InChIInChI=1S/C18H15ClFN5O2/c1-2-27-8-12-17(20)16(19)15(11-5-22-24-18(11)12)10-3-4-14-23-13(21-9-26)7-25(14)6-10/h3-7,9H,2,8H2,1H3,(H,21,26)(H,22,24)
InChIKeyVMSLMZMGWGORHQ-UHFFFAOYSA-N
XLogP3.77
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163220935
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163221228
N-[6-[5-chloro-6-fluoro-7-(2-hydroxypropan-2-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163221360
5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine
CID 163221163
N-[6-[6-fluoro-5-methyl-7-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163221060
N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 163220776
N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane
CID 163220775
N-[6-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718070
5-chloro-6-fluoro-7-methyl-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-1H-indazole
CID 163221063
methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate
CID 163221409
N-[6-[5-chloro-7-(cyanomethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718237
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

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
The IUPAC name of N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide (CID 163221020) is N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide.
What is the SMILES notation for N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
The canonical SMILES for N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide is CCOCc1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3c2)c2cn[nH]c12.
What is the InChIKey of N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
The InChIKey is VMSLMZMGWGORHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O2/c1-2-27-8-12-17(20)16(19)15(11-5-22-24-18(11)12)10-3-4-14-23-13(21-9-26)7-25(14)6-10/h3-7,9H,2,8H2,1H3,(H,21,26)(H,22,24).
What are the key properties of N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide has a molecular weight of 387.80 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-chloro-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide is sourced from PubChem (CID 163221020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).