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

C23H21ClF2N6O2 — CID 164717968

About 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

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 (PubChem CID 164717968) 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-7-[1-(ethylamino)-1-oxopropan-2-yl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 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
• PubChem CID: 164717968
• Molecular Formula: C23H21ClF2N6O2
• Molecular Weight: 486.91 g/mol
• Exact Mass: 486.14
• IUPAC Name: 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
• SMILES: CCNC(=O)C(C)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
• InChI: InChI=1S/C23H21ClF2N6O2/c1-3-27-22(33)10(2)17-20(26)19(24)18(13-7-28-31-21(13)17)11-4-5-16-29-15(9-32(16)8-11)30-23(34)12-6-14(12)25/h4-5,7-10,12,14H,3,6H2,1-2H3,(H,27,33)(H,28,31)(H,30,34)/t10?,12-,14+/m1/s1
• InChIKey: FOTGZKKQQZKCFC-VOHIISRTSA-N
• XLogP: 4.21
• TPSA: 104.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.91
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCNC(=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-7-[1-(ethylamino)-1-oxopropan-2-yl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is FOTGZKKQQZKCFC-VOHIISRTSA-N. The full InChI is InChI=1S/C23H21ClF2N6O2/c1-3-27-22(33)10(2)17-20(26)19(24)18(13-7-28-31-21(13)17)11-4-5-16-29-15(9-32(16)8-11)30-23(34)12-6-14(12)25/h4-5,7-10,12,14H,3,6H2,1-2H3,(H,27,33)(H,28,31)(H,30,34)/t10?,12-,14+/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 486.91 g/mol, XLogP of 4.21, 6 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-[1-(ethylamino)-1-oxopropan-2-yl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164717968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).