N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

C29H25FN6O2 — CID 89458798

IUPACN-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(Oc6ccccc6)c5)cc34)cn2)C1
InChIInChI=1S/C29H25FN6O2/c1-29(30)11-12-36(18-29)26-10-8-21(16-32-26)33-28(37)27-24-14-19(7-9-25(24)34-35-27)20-13-23(17-31-15-20)38-22-5-3-2-4-6-22/h2-10,13-17H,11-12,18H2,1H3,(H,33,37)(H,34,35)
InChIKeyFYUVLOFHNFXNEV-UHFFFAOYSA-N
MW508.56 g/mol
LogP6.00
Rot. Bonds6

About N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89458798) has the molecular formula C29H25FN6O2 and a molecular weight of 508.56 g/mol. Its IUPAC name is N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89458798
Molecular FormulaC29H25FN6O2
Molecular Weight508.56 g/mol
Exact Mass508.20
IUPAC NameN-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(Oc6ccccc6)c5)cc34)cn2)C1
InChIInChI=1S/C29H25FN6O2/c1-29(30)11-12-36(18-29)26-10-8-21(16-32-26)33-28(37)27-24-14-19(7-9-25(24)34-35-27)20-13-23(17-31-15-20)38-22-5-3-2-4-6-22/h2-10,13-17H,11-12,18H2,1H3,(H,33,37)(H,34,35)
InChIKeyFYUVLOFHNFXNEV-UHFFFAOYSA-N
XLogP6.00
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.56
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89458798) is N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is CC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(Oc6ccccc6)c5)cc34)cn2)C1.
What is the InChIKey of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is FYUVLOFHNFXNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O2/c1-29(30)11-12-36(18-29)26-10-8-21(16-32-26)33-28(37)27-24-14-19(7-9-25(24)34-35-27)20-13-23(17-31-15-20)38-22-5-3-2-4-6-22/h2-10,13-17H,11-12,18H2,1H3,(H,33,37)(H,34,35).
What are the key properties of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 508.56 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).