N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C26H25F2N7O — CID 89450554

IUPACN-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12
InChIInChI=1S/C26H25F2N7O/c27-26(28)7-10-35(16-26)23-6-4-19(14-30-23)31-25(36)24-21-12-17(3-5-22(21)32-33-24)18-11-20(15-29-13-18)34-8-1-2-9-34/h3-6,11-15H,1-2,7-10,16H2,(H,31,36)(H,32,33)
InChIKeyQMHHLJGPWGTDDN-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.72
Rot. Bonds5

About N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89450554) has the molecular formula C26H25F2N7O and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89450554
Molecular FormulaC26H25F2N7O
Molecular Weight489.53 g/mol
Exact Mass489.21
IUPAC NameN-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12
InChIInChI=1S/C26H25F2N7O/c27-26(28)7-10-35(16-26)23-6-4-19(14-30-23)31-25(36)24-21-12-17(3-5-22(21)32-33-24)18-11-20(15-29-13-18)34-8-1-2-9-34/h3-6,11-15H,1-2,7-10,16H2,(H,31,36)(H,32,33)
InChIKeyQMHHLJGPWGTDDN-UHFFFAOYSA-N
XLogP4.72
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89450554) is N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.
What is the InChIKey of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is QMHHLJGPWGTDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O/c27-26(28)7-10-35(16-26)23-6-4-19(14-30-23)31-25(36)24-21-12-17(3-5-22(21)32-33-24)18-11-20(15-29-13-18)34-8-1-2-9-34/h3-6,11-15H,1-2,7-10,16H2,(H,31,36)(H,32,33).
What are the key properties of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).