cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

C20H16F3N5O — CID 167002415

IUPACcis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCC(F)c1c(F)cc2[nH]ncc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
InChIInChI=1S/C20H16F3N5O/c1-9(21)18-14(23)5-15-12(6-24-27-15)19(18)10-2-3-17-25-16(8-28(17)7-10)26-20(29)11-4-13(11)22/h2-3,5-9,11,13H,4H2,1H3,(H,24,27)(H,26,29)/t9?,11-,13+/m1/s1
InChIKeyCCNPEOUHQSPVOT-WPLSFSDESA-N
MW399.38 g/mol
LogP4.34
Rot. Bonds4

About cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 167002415) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID167002415
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Namecis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCC(F)c1c(F)cc2[nH]ncc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
InChIInChI=1S/C20H16F3N5O/c1-9(21)18-14(23)5-15-12(6-24-27-15)19(18)10-2-3-17-25-16(8-28(17)7-10)26-20(29)11-4-13(11)22/h2-3,5-9,11,13H,4H2,1H3,(H,24,27)(H,26,29)/t9?,11-,13+/m1/s1
InChIKeyCCNPEOUHQSPVOT-WPLSFSDESA-N
XLogP4.34
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 167002415) is cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is CC(F)c1c(F)cc2[nH]ncc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is CCNPEOUHQSPVOT-WPLSFSDESA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-9(21)18-14(23)5-15-12(6-24-27-15)19(18)10-2-3-17-25-16(8-28(17)7-10)26-20(29)11-4-13(11)22/h2-3,5-9,11,13H,4H2,1H3,(H,24,27)(H,26,29)/t9?,11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167002415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).