4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide

C24H22FN5O2 — CID 165112399

IUPAC4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCOc1cccc(C2(NC(=O)c3cc(-c4ccc5n[nH]c(F)c5c4)ccn3)CCNC2)c1
InChIInChI=1S/C24H22FN5O2/c1-32-18-4-2-3-17(13-18)24(8-10-26-14-24)28-23(31)21-12-16(7-9-27-21)15-5-6-20-19(11-15)22(25)30-29-20/h2-7,9,11-13,26H,8,10,14H2,1H3,(H,28,31)(H,29,30)
InChIKeyOPXMFZCMGPFHSL-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.39
Rot. Bonds5

About 4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide

4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 165112399) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID165112399
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCOc1cccc(C2(NC(=O)c3cc(-c4ccc5n[nH]c(F)c5c4)ccn3)CCNC2)c1
InChIInChI=1S/C24H22FN5O2/c1-32-18-4-2-3-17(13-18)24(8-10-26-14-24)28-23(31)21-12-16(7-9-27-21)15-5-6-20-19(11-15)22(25)30-29-20/h2-7,9,11-13,26H,8,10,14H2,1H3,(H,28,31)(H,29,30)
InChIKeyOPXMFZCMGPFHSL-UHFFFAOYSA-N
XLogP3.39
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide (CID 165112399) is 4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide is COc1cccc(C2(NC(=O)c3cc(-c4ccc5n[nH]c(F)c5c4)ccn3)CCNC2)c1.
What is the InChIKey of 4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is OPXMFZCMGPFHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-32-18-4-2-3-17(13-18)24(8-10-26-14-24)28-23(31)21-12-16(7-9-27-21)15-5-6-20-19(11-15)22(25)30-29-20/h2-7,9,11-13,26H,8,10,14H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165112399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).