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

C24H20ClF2N7O — CID 163220882

IUPACcis-(1S,2S)-N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(NC1(C#N)CC1)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C24H20ClF2N7O/c1-11(32-24(10-28)4-5-24)18-21(27)20(25)19(14-7-29-33-22(14)18)12-2-3-17-30-16(9-34(17)8-12)31-23(35)13-6-15(13)26/h2-3,7-9,11,13,15,32H,4-6H2,1H3,(H,29,33)(H,31,35)/t11?,13-,15+/m1/s1
InChIKeyDLNCPCAYJGZVBP-ICSQTIAXSA-N
MW495.92 g/mol
LogP4.67
Rot. Bonds6

About cis-(1S,2S)-N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-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-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163220882) has the molecular formula C24H20ClF2N7O and a molecular weight of 495.92 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-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-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163220882
Molecular FormulaC24H20ClF2N7O
Molecular Weight495.92 g/mol
Exact Mass495.14
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(NC1(C#N)CC1)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C24H20ClF2N7O/c1-11(32-24(10-28)4-5-24)18-21(27)20(25)19(14-7-29-33-22(14)18)12-2-3-17-30-16(9-34(17)8-12)31-23(35)13-6-15(13)26/h2-3,7-9,11,13,15,32H,4-6H2,1H3,(H,29,33)(H,31,35)/t11?,13-,15+/m1/s1
InChIKeyDLNCPCAYJGZVBP-ICSQTIAXSA-N
XLogP4.67
TPSA110.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.92
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-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-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163220882) is cis-(1S,2S)-N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-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-[(1-cyanocyclopropyl)amino]ethyl]-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-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(NC1(C#N)CC1)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-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is DLNCPCAYJGZVBP-ICSQTIAXSA-N. The full InChI is InChI=1S/C24H20ClF2N7O/c1-11(32-24(10-28)4-5-24)18-21(27)20(25)19(14-7-29-33-22(14)18)12-2-3-17-30-16(9-34(17)8-12)31-23(35)13-6-15(13)26/h2-3,7-9,11,13,15,32H,4-6H2,1H3,(H,29,33)(H,31,35)/t11?,13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-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-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 495.92 g/mol, XLogP of 4.67, 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-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163220882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).