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

C26H25F2N7O2 — CID 89450876

IUPACN-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C26H25F2N7O2/c27-26(28)5-6-35(16-26)23-4-2-19(14-30-23)31-25(36)24-21-12-17(1-3-22(21)32-33-24)18-11-20(15-29-13-18)34-7-9-37-10-8-34/h1-4,11-15H,5-10,16H2,(H,31,36)(H,32,33)
InChIKeyPHEVONBBPSCSSY-UHFFFAOYSA-N
MW505.53 g/mol
LogP3.95
Rot. Bonds5

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

N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89450876) has the molecular formula C26H25F2N7O2 and a molecular weight of 505.53 g/mol. Its IUPAC name is N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89450876
Molecular FormulaC26H25F2N7O2
Molecular Weight505.53 g/mol
Exact Mass505.20
IUPAC NameN-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C26H25F2N7O2/c27-26(28)5-6-35(16-26)23-4-2-19(14-30-23)31-25(36)24-21-12-17(1-3-22(21)32-33-24)18-11-20(15-29-13-18)34-7-9-37-10-8-34/h1-4,11-15H,5-10,16H2,(H,31,36)(H,32,33)
InChIKeyPHEVONBBPSCSSY-UHFFFAOYSA-N
XLogP3.95
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89450876) is N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.
What is the InChIKey of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is PHEVONBBPSCSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O2/c27-26(28)5-6-35(16-26)23-4-2-19(14-30-23)31-25(36)24-21-12-17(1-3-22(21)32-33-24)18-11-20(15-29-13-18)34-7-9-37-10-8-34/h1-4,11-15H,5-10,16H2,(H,31,36)(H,32,33).
What are the key properties of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 505.53 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).