N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C27H28FN7O2 — CID 89458794

IUPACN-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCOCC6)c5)cc34)cn2)C1
InChIInChI=1S/C27H28FN7O2/c1-27(28)6-7-35(17-27)24-5-3-20(15-30-24)31-26(36)25-22-13-18(2-4-23(22)32-33-25)19-12-21(16-29-14-19)34-8-10-37-11-9-34/h2-5,12-16H,6-11,17H2,1H3,(H,31,36)(H,32,33)
InChIKeyFFXKPUWOANEKOG-UHFFFAOYSA-N
MW501.57 g/mol
LogP4.05
Rot. Bonds5

About N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide

N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89458794) has the molecular formula C27H28FN7O2 and a molecular weight of 501.57 g/mol. Its IUPAC name is N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89458794
Molecular FormulaC27H28FN7O2
Molecular Weight501.57 g/mol
Exact Mass501.23
IUPAC NameN-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCOCC6)c5)cc34)cn2)C1
InChIInChI=1S/C27H28FN7O2/c1-27(28)6-7-35(17-27)24-5-3-20(15-30-24)31-26(36)25-22-13-18(2-4-23(22)32-33-25)19-12-21(16-29-14-19)34-8-10-37-11-9-34/h2-5,12-16H,6-11,17H2,1H3,(H,31,36)(H,32,33)
InChIKeyFFXKPUWOANEKOG-UHFFFAOYSA-N
XLogP4.05
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89458794) is N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is CC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCOCC6)c5)cc34)cn2)C1.
What is the InChIKey of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is FFXKPUWOANEKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O2/c1-27(28)6-7-35(17-27)24-5-3-20(15-30-24)31-26(36)25-22-13-18(2-4-23(22)32-33-25)19-12-21(16-29-14-19)34-8-10-37-11-9-34/h2-5,12-16H,6-11,17H2,1H3,(H,31,36)(H,32,33).
What are the key properties of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 501.57 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).