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

C24H28F2N6O — CID 118381178

IUPAC5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)CC1
InChIInChI=1S/C24H28F2N6O/c1-31-7-4-19(5-8-31)28-23(33)22-20-11-17(2-3-21(20)29-30-22)18-10-16(12-27-13-18)14-32-9-6-24(25,26)15-32/h2-3,10-13,19H,4-9,14-15H2,1H3,(H,28,33)(H,29,30)
InChIKeyUCJFPXRSZDIJPE-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.29
Rot. Bonds5

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

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118381178) has the molecular formula C24H28F2N6O and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID118381178
Molecular FormulaC24H28F2N6O
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)CC1
InChIInChI=1S/C24H28F2N6O/c1-31-7-4-19(5-8-31)28-23(33)22-20-11-17(2-3-21(20)29-30-22)18-10-16(12-27-13-18)14-32-9-6-24(25,26)15-32/h2-3,10-13,19H,4-9,14-15H2,1H3,(H,28,33)(H,29,30)
InChIKeyUCJFPXRSZDIJPE-UHFFFAOYSA-N
XLogP3.29
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 118381178) is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)CC1.
What is the InChIKey of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is UCJFPXRSZDIJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O/c1-31-7-4-19(5-8-31)28-23(33)22-20-11-17(2-3-21(20)29-30-22)18-10-16(12-27-13-18)14-32-9-6-24(25,26)15-32/h2-3,10-13,19H,4-9,14-15H2,1H3,(H,28,33)(H,29,30).
What are the key properties of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).