N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C21H25N5O — CID 118381625

IUPACN-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCCN(CC)Cc1cncc(-c2ccc3[nH]nc(C(=O)NC4CC4)c3c2)c1
InChIInChI=1S/C21H25N5O/c1-3-26(4-2)13-14-9-16(12-22-11-14)15-5-8-19-18(10-15)20(25-24-19)21(27)23-17-6-7-17/h5,8-12,17H,3-4,6-7,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyZEWZYUBCVAILBU-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.36
Rot. Bonds7

About N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381625) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381625
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCCN(CC)Cc1cncc(-c2ccc3[nH]nc(C(=O)NC4CC4)c3c2)c1
InChIInChI=1S/C21H25N5O/c1-3-26(4-2)13-14-9-16(12-22-11-14)15-5-8-19-18(10-15)20(25-24-19)21(27)23-17-6-7-17/h5,8-12,17H,3-4,6-7,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyZEWZYUBCVAILBU-UHFFFAOYSA-N
XLogP3.36
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382113
N-(2,3-dihydro-1H-inden-2-yl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381150
N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381128
N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 148853481
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382158
N-cyclohexyl-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382226
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
CID 118381641
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118382252
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381779
N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382016
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381541
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381511

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381625) is N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CCN(CC)Cc1cncc(-c2ccc3[nH]nc(C(=O)NC4CC4)c3c2)c1.
What is the InChIKey of N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is ZEWZYUBCVAILBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-26(4-2)13-14-9-16(12-22-11-14)15-5-8-19-18(10-15)20(25-24-19)21(27)23-17-6-7-17/h5,8-12,17H,3-4,6-7,13H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).