5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide

C22H28N6O — CID 118382151

IUPAC5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)CC1
InChIInChI=1S/C22H28N6O/c1-22(2,3)28-8-6-17(7-9-28)25-21(29)20-18-11-14(4-5-19(18)26-27-20)15-10-16(23)13-24-12-15/h4-5,10-13,17H,6-9,23H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyNTXDCIXMPXQGHT-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.20
Rot. Bonds3

About 5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide

5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118382151) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID118382151
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)CC1
InChIInChI=1S/C22H28N6O/c1-22(2,3)28-8-6-17(7-9-28)25-21(29)20-18-11-14(4-5-19(18)26-27-20)15-10-16(23)13-24-12-15/h4-5,10-13,17H,6-9,23H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyNTXDCIXMPXQGHT-UHFFFAOYSA-N
XLogP3.20
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118382252
5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118381140
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382368
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381779
N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381625
N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382113
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118382146
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381541
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382158
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381511
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856
N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381128

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 118382151) is 5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide is CC(C)(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)CC1.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is NTXDCIXMPXQGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-22(2,3)28-8-6-17(7-9-28)25-21(29)20-18-11-14(4-5-19(18)26-27-20)15-10-16(23)13-24-12-15/h4-5,10-13,17H,6-9,23H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of 5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide?
5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).