cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C19H14F3N5O — CID 164718324

IUPACcis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3c(C(F)F)ccc4[nH]ncc34)ccn2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C19H14F3N5O/c20-14-7-12(14)19(28)24-16-6-10-5-9(3-4-27(10)26-16)17-11(18(21)22)1-2-15-13(17)8-23-25-15/h1-6,8,12,14,18H,7H2,(H,23,25)(H,24,26,28)/t12-,14+/m1/s1
InChIKeyVJJLFEXXGMMCGO-OCCSQVGLSA-N
MW385.35 g/mol
LogP4.11
Rot. Bonds4

About cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718324) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164718324
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Namecis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3c(C(F)F)ccc4[nH]ncc34)ccn2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C19H14F3N5O/c20-14-7-12(14)19(28)24-16-6-10-5-9(3-4-27(10)26-16)17-11(18(21)22)1-2-15-13(17)8-23-25-15/h1-6,8,12,14,18H,7H2,(H,23,25)(H,24,26,28)/t12-,14+/m1/s1
InChIKeyVJJLFEXXGMMCGO-OCCSQVGLSA-N
XLogP4.11
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718324) is cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cc2cc(-c3c(C(F)F)ccc4[nH]ncc34)ccn2n1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is VJJLFEXXGMMCGO-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-14-7-12(14)19(28)24-16-6-10-5-9(3-4-27(10)26-16)17-11(18(21)22)1-2-15-13(17)8-23-25-15/h1-6,8,12,14,18H,7H2,(H,23,25)(H,24,26,28)/t12-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-[5-(difluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).