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

C19H17ClFN5O2 — CID 163220935

IUPACN-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
SMILESCCC(OC)c1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3c2)c2cn[nH]c12
InChIInChI=1S/C19H17ClFN5O2/c1-3-12(28-2)16-18(21)17(20)15(11-6-23-25-19(11)16)10-4-5-14-24-13(22-9-27)8-26(14)7-10/h4-9,12H,3H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyKMMPXCRXPJQXSU-UHFFFAOYSA-N
MW401.83 g/mol
LogP4.34
Rot. Bonds6

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

N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide (PubChem CID 163220935) has the molecular formula C19H17ClFN5O2 and a molecular weight of 401.83 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
PubChem CID163220935
Molecular FormulaC19H17ClFN5O2
Molecular Weight401.83 g/mol
Exact Mass401.11
IUPAC NameN-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
SMILESCCC(OC)c1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3c2)c2cn[nH]c12
InChIInChI=1S/C19H17ClFN5O2/c1-3-12(28-2)16-18(21)17(20)15(11-6-23-25-19(11)16)10-4-5-14-24-13(22-9-27)8-26(14)7-10/h4-9,12H,3H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyKMMPXCRXPJQXSU-UHFFFAOYSA-N
XLogP4.34
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 54.34
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-7-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163221020
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
N-[6-[6-fluoro-5-methyl-7-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163221060
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-[5-chloro-6-fluoro-7-[methyl(propan-2-yl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 163220482
methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate
CID 163221409
N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 163220648
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520285
cis-(1S,2S)-N-[6-[5-chloro-7-[1-(ethylamino)-1-oxopropan-2-yl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717968
5-chloro-6-fluoro-7-methyl-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-1H-indazole
CID 163221063
N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 163220776

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
The IUPAC name of N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide (CID 163220935) is N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide.
What is the SMILES notation for N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide is CCC(OC)c1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3c2)c2cn[nH]c12.
What is the InChIKey of N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
The InChIKey is KMMPXCRXPJQXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O2/c1-3-12(28-2)16-18(21)17(20)15(11-6-23-25-19(11)16)10-4-5-14-24-13(22-9-27)8-26(14)7-10/h4-9,12H,3H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide has a molecular weight of 401.83 g/mol, XLogP of 4.34, 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-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide is sourced from PubChem (CID 163220935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).