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

C18H16ClFN6O — CID 163221228

IUPACN-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
SMILESCC(C)Nc1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3c2)c2cn[nH]c12
InChIInChI=1S/C18H16ClFN6O/c1-9(2)23-18-16(20)15(19)14(11-5-22-25-17(11)18)10-3-4-13-24-12(21-8-27)7-26(13)6-10/h3-9,23H,1-2H3,(H,21,27)(H,22,25)
InChIKeyGQVRRWDXVAOOKZ-UHFFFAOYSA-N
MW386.82 g/mol
LogP4.06
Rot. Bonds5

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

N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide (PubChem CID 163221228) has the molecular formula C18H16ClFN6O and a molecular weight of 386.82 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
PubChem CID163221228
Molecular FormulaC18H16ClFN6O
Molecular Weight386.82 g/mol
Exact Mass386.11
IUPAC NameN-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
SMILESCC(C)Nc1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3c2)c2cn[nH]c12
InChIInChI=1S/C18H16ClFN6O/c1-9(2)23-18-16(20)15(19)14(11-5-22-25-17(11)18)10-3-4-13-24-12(21-8-27)7-26(13)6-10/h3-9,23H,1-2H3,(H,21,27)(H,22,25)
InChIKeyGQVRRWDXVAOOKZ-UHFFFAOYSA-N
XLogP4.06
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.82
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
The IUPAC name of N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide (CID 163221228) is N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-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-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide is CC(C)Nc1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3c2)c2cn[nH]c12.
What is the InChIKey of N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
The InChIKey is GQVRRWDXVAOOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN6O/c1-9(2)23-18-16(20)15(19)14(11-5-22-25-17(11)18)10-3-4-13-24-12(21-8-27)7-26(13)6-10/h3-9,23H,1-2H3,(H,21,27)(H,22,25).
What are the key properties of N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide?
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide has a molecular weight of 386.82 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide is sourced from PubChem (CID 163221228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).