5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C27H29F2N7O — CID 89450392

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1
InChIInChI=1S/C27H29F2N7O/c1-35(2)17-22-5-4-21(15-31-22)32-26(37)25-23-12-19(3-6-24(23)33-34-25)20-11-18(13-30-14-20)16-36-9-7-27(28,29)8-10-36/h3-6,11-15H,7-10,16-17H2,1-2H3,(H,32,37)(H,33,34)
InChIKeyOVKUATJJFUKOOL-UHFFFAOYSA-N
MW505.57 g/mol
LogP4.56
Rot. Bonds7

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450392) has the molecular formula C27H29F2N7O and a molecular weight of 505.57 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450392
Molecular FormulaC27H29F2N7O
Molecular Weight505.57 g/mol
Exact Mass505.24
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1
InChIInChI=1S/C27H29F2N7O/c1-35(2)17-22-5-4-21(15-31-22)32-26(37)25-23-12-19(3-6-24(23)33-34-25)20-11-18(13-30-14-20)16-36-9-7-27(28,29)8-10-36/h3-6,11-15H,7-10,16-17H2,1-2H3,(H,32,37)(H,33,34)
InChIKeyOVKUATJJFUKOOL-UHFFFAOYSA-N
XLogP4.56
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450392) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.
What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is OVKUATJJFUKOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O/c1-35(2)17-22-5-4-21(15-31-22)32-26(37)25-23-12-19(3-6-24(23)33-34-25)20-11-18(13-30-14-20)16-36-9-7-27(28,29)8-10-36/h3-6,11-15H,7-10,16-17H2,1-2H3,(H,32,37)(H,33,34).
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 505.57 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).