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

C20H17ClF2N6O — CID 163220918

IUPACcis-(1S,2S)-N-[6-[5-chloro-7-(ethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCNc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C20H17ClF2N6O/c1-2-24-19-17(23)16(21)15(11-6-25-28-18(11)19)9-3-4-14-26-13(8-29(14)7-9)27-20(30)10-5-12(10)22/h3-4,6-8,10,12,24H,2,5H2,1H3,(H,25,28)(H,27,30)/t10-,12+/m1/s1
InChIKeyGCJUYLADQBVIKD-PWSUYJOCSA-N
MW430.85 g/mol
LogP4.40
Rot. Bonds5

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

cis-(1S,2S)-N-[6-[5-chloro-7-(ethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163220918) has the molecular formula C20H17ClF2N6O and a molecular weight of 430.85 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-7-(ethylamino)-6-fluoro-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-7-(ethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163220918
Molecular FormulaC20H17ClF2N6O
Molecular Weight430.85 g/mol
Exact Mass430.11
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-7-(ethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCNc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C20H17ClF2N6O/c1-2-24-19-17(23)16(21)15(11-6-25-28-18(11)19)9-3-4-14-26-13(8-29(14)7-9)27-20(30)10-5-12(10)22/h3-4,6-8,10,12,24H,2,5H2,1H3,(H,25,28)(H,27,30)/t10-,12+/m1/s1
InChIKeyGCJUYLADQBVIKD-PWSUYJOCSA-N
XLogP4.40
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2S)-N-[6-[5-chloro-7-(ethylamino)-6-fluoro-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-7-(ethylamino)-6-fluoro-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-7-(ethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163220918) is cis-(1S,2S)-N-[6-[5-chloro-7-(ethylamino)-6-fluoro-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-7-(ethylamino)-6-fluoro-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-7-(ethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCNc1c(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-7-(ethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is GCJUYLADQBVIKD-PWSUYJOCSA-N. The full InChI is InChI=1S/C20H17ClF2N6O/c1-2-24-19-17(23)16(21)15(11-6-25-28-18(11)19)9-3-4-14-26-13(8-29(14)7-9)27-20(30)10-5-12(10)22/h3-4,6-8,10,12,24H,2,5H2,1H3,(H,25,28)(H,27,30)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-7-(ethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-[5-chloro-7-(ethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 430.85 g/mol, XLogP of 4.40, 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-7-(ethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163220918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).