cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C22H19ClF2N6O2 — CID 163221161

IUPACcis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCNC(=O)C(C)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C22H19ClF2N6O2/c1-9(21(32)26-2)16-19(25)18(23)17(12-6-27-30-20(12)16)10-3-4-15-28-14(8-31(15)7-10)29-22(33)11-5-13(11)24/h3-4,6-9,11,13H,5H2,1-2H3,(H,26,32)(H,27,30)(H,29,33)/t9?,11-,13+/m1/s1
InChIKeyIQFWWPXJXLBBGX-WPLSFSDESA-N
MW472.88 g/mol
LogP3.82
Rot. Bonds5

About cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163221161) has the molecular formula C22H19ClF2N6O2 and a molecular weight of 472.88 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163221161
Molecular FormulaC22H19ClF2N6O2
Molecular Weight472.88 g/mol
Exact Mass472.12
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCNC(=O)C(C)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C22H19ClF2N6O2/c1-9(21(32)26-2)16-19(25)18(23)17(12-6-27-30-20(12)16)10-3-4-15-28-14(8-31(15)7-10)29-22(33)11-5-13(11)24/h3-4,6-9,11,13H,5H2,1-2H3,(H,26,32)(H,27,30)(H,29,33)/t9?,11-,13+/m1/s1
InChIKeyIQFWWPXJXLBBGX-WPLSFSDESA-N
XLogP3.82
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.88
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163221161) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CNC(=O)C(C)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is IQFWWPXJXLBBGX-WPLSFSDESA-N. The full InChI is InChI=1S/C22H19ClF2N6O2/c1-9(21(32)26-2)16-19(25)18(23)17(12-6-27-30-20(12)16)10-3-4-15-28-14(8-31(15)7-10)29-22(33)11-5-13(11)24/h3-4,6-9,11,13H,5H2,1-2H3,(H,26,32)(H,27,30)(H,29,33)/t9?,11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 472.88 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(methylamino)-1-oxopropan-2-yl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163221161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).