cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C23H21ClF2N6O2 — CID 163221149

IUPACcis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(NC1COC1)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C23H21ClF2N6O2/c1-10(28-12-8-34-9-12)18-21(26)20(24)19(14-5-27-31-22(14)18)11-2-3-17-29-16(7-32(17)6-11)30-23(33)13-4-15(13)25/h2-3,5-7,10,12-13,15,28H,4,8-9H2,1H3,(H,27,31)(H,30,33)/t10?,13-,15+/m1/s1
InChIKeyPCVDBHCUFSOFQE-AFGDWVFNSA-N
MW486.91 g/mol
LogP4.02
Rot. Bonds6

About cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(oxetan-3-ylamino)ethyl]-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-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163221149) has the molecular formula C23H21ClF2N6O2 and a molecular weight of 486.91 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(oxetan-3-ylamino)ethyl]-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-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163221149
Molecular FormulaC23H21ClF2N6O2
Molecular Weight486.91 g/mol
Exact Mass486.14
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(NC1COC1)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C23H21ClF2N6O2/c1-10(28-12-8-34-9-12)18-21(26)20(24)19(14-5-27-31-22(14)18)11-2-3-17-29-16(7-32(17)6-11)30-23(33)13-4-15(13)25/h2-3,5-7,10,12-13,15,28H,4,8-9H2,1H3,(H,27,31)(H,30,33)/t10?,13-,15+/m1/s1
InChIKeyPCVDBHCUFSOFQE-AFGDWVFNSA-N
XLogP4.02
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.91
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(oxetan-3-ylamino)ethyl]-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-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163221149) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(oxetan-3-ylamino)ethyl]-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-(oxetan-3-ylamino)ethyl]-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-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(NC1COC1)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-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PCVDBHCUFSOFQE-AFGDWVFNSA-N. The full InChI is InChI=1S/C23H21ClF2N6O2/c1-10(28-12-8-34-9-12)18-21(26)20(24)19(14-5-27-31-22(14)18)11-2-3-17-29-16(7-32(17)6-11)30-23(33)13-4-15(13)25/h2-3,5-7,10,12-13,15,28H,4,8-9H2,1H3,(H,27,31)(H,30,33)/t10?,13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(oxetan-3-ylamino)ethyl]-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-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 486.91 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(oxetan-3-ylamino)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163221149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).