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

C20H18FN5O2 — CID 163221127

IUPACcis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C20H18FN5O2/c1-10-5-16(28-2)19-14(9-22-24-19)18(10)11-3-4-26-12(6-11)7-17(25-26)23-20(27)13-8-15(13)21/h3-7,9,13,15H,8H2,1-2H3,(H,22,24)(H,23,25,27)/t13-,15+/m1/s1
InChIKeyMIGLMQZXEYVOBC-HIFRSBDPSA-N
MW379.40 g/mol
LogP3.49
Rot. Bonds4

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

cis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 163221127) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID163221127
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Namecis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C20H18FN5O2/c1-10-5-16(28-2)19-14(9-22-24-19)18(10)11-3-4-26-12(6-11)7-17(25-26)23-20(27)13-8-15(13)21/h3-7,9,13,15H,8H2,1-2H3,(H,22,24)(H,23,25,27)/t13-,15+/m1/s1
InChIKeyMIGLMQZXEYVOBC-HIFRSBDPSA-N
XLogP3.49
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-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-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 163221127) is cis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-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-(7-methoxy-5-methyl-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-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is COc1cc(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is MIGLMQZXEYVOBC-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-10-5-16(28-2)19-14(9-22-24-19)18(10)11-3-4-26-12(6-11)7-17(25-26)23-20(27)13-8-15(13)21/h3-7,9,13,15H,8H2,1-2H3,(H,22,24)(H,23,25,27)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[5-(7-methoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163221127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).