cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C20H18F2N6O — CID 164718143

IUPACcis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCN(C)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C20H18F2N6O/c1-27(2)19-15(22)8-16-13(9-23-25-16)18(19)10-3-4-28-11(5-10)6-17(26-28)24-20(29)12-7-14(12)21/h3-6,8-9,12,14H,7H2,1-2H3,(H,23,25)(H,24,26,29)/t12-,14+/m1/s1
InChIKeyGHSCTFCGIYXGED-OCCSQVGLSA-N
MW396.40 g/mol
LogP3.38
Rot. Bonds4

About cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718143) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164718143
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Namecis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCN(C)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C20H18F2N6O/c1-27(2)19-15(22)8-16-13(9-23-25-16)18(19)10-3-4-28-11(5-10)6-17(26-28)24-20(29)12-7-14(12)21/h3-6,8-9,12,14H,7H2,1-2H3,(H,23,25)(H,24,26,29)/t12-,14+/m1/s1
InChIKeyGHSCTFCGIYXGED-OCCSQVGLSA-N
XLogP3.38
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-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-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718143) is cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-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-(dimethylamino)-6-fluoro-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-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CN(C)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.
What is the InChIKey of cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is GHSCTFCGIYXGED-OCCSQVGLSA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-27(2)19-15(22)8-16-13(9-23-25-16)18(19)10-3-4-28-11(5-10)6-17(26-28)24-20(29)12-7-14(12)21/h3-6,8-9,12,14H,7H2,1-2H3,(H,23,25)(H,24,26,29)/t12-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).