cis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C21H18FN5O — CID 164718273

IUPACcis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESC=Cc1cc(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C21H18FN5O/c1-3-12-6-11(2)19(16-10-23-25-20(12)16)13-4-5-27-14(7-13)8-18(26-27)24-21(28)15-9-17(15)22/h3-8,10,15,17H,1,9H2,2H3,(H,23,25)(H,24,26,28)/t15-,17+/m1/s1
InChIKeyPPFBSNNURIONLM-WBVHZDCISA-N
MW375.41 g/mol
LogP4.13
Rot. Bonds4

About cis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718273) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164718273
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Namecis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESC=Cc1cc(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C21H18FN5O/c1-3-12-6-11(2)19(16-10-23-25-20(12)16)13-4-5-27-14(7-13)8-18(26-27)24-21(28)15-9-17(15)22/h3-8,10,15,17H,1,9H2,2H3,(H,23,25)(H,24,26,28)/t15-,17+/m1/s1
InChIKeyPPFBSNNURIONLM-WBVHZDCISA-N
XLogP4.13
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.13
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-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718273) is cis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-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-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is C=Cc1cc(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PPFBSNNURIONLM-WBVHZDCISA-N. The full InChI is InChI=1S/C21H18FN5O/c1-3-12-6-11(2)19(16-10-23-25-20(12)16)13-4-5-27-14(7-13)8-18(26-27)24-21(28)15-9-17(15)22/h3-8,10,15,17H,1,9H2,2H3,(H,23,25)(H,24,26,28)/t15-,17+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 4.13, 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-(7-ethenyl-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).