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

C21H19F2N5O — CID 164718137

IUPACcis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C21H19F2N5O/c1-10(2)19-16(23)8-17-14(9-24-26-17)20(19)11-3-4-28-12(5-11)6-18(27-28)25-21(29)13-7-15(13)22/h3-6,8-10,13,15H,7H2,1-2H3,(H,24,26)(H,25,27,29)/t13-,15+/m1/s1
InChIKeyZNAYGTOUWFLLGA-HIFRSBDPSA-N
MW395.41 g/mol
LogP4.44
Rot. Bonds4

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

cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 164718137) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID164718137
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Namecis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C21H19F2N5O/c1-10(2)19-16(23)8-17-14(9-24-26-17)20(19)11-3-4-28-12(5-11)6-18(27-28)25-21(29)13-7-15(13)22/h3-6,8-10,13,15H,7H2,1-2H3,(H,24,26)(H,25,27,29)/t13-,15+/m1/s1
InChIKeyZNAYGTOUWFLLGA-HIFRSBDPSA-N
XLogP4.44
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 164718137) is cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is CC(C)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is ZNAYGTOUWFLLGA-HIFRSBDPSA-N. The full InChI is InChI=1S/C21H19F2N5O/c1-10(2)19-16(23)8-17-14(9-24-26-17)20(19)11-3-4-28-12(5-11)6-18(27-28)25-21(29)13-7-15(13)22/h3-6,8-10,13,15H,7H2,1-2H3,(H,24,26)(H,25,27,29)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 4.44, 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-[5-(6-fluoro-5-propan-2-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164718137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).