5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide

C24H25N5O2 — CID 171446035

IUPAC5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide
SMILESNc1nccc2ccc(-c3ccc4[nH]nc(C(=O)NCC5CCC(O)CC5)c4c3)cc12
InChIInChI=1S/C24H25N5O2/c25-23-19-11-16(4-3-15(19)9-10-26-23)17-5-8-21-20(12-17)22(29-28-21)24(31)27-13-14-1-6-18(30)7-2-14/h3-5,8-12,14,18,30H,1-2,6-7,13H2,(H2,25,26)(H,27,31)(H,28,29)
InChIKeyVDYCGKOLWCZRNI-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.64
Rot. Bonds4

About 5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide

5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide (PubChem CID 171446035) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide
PubChem CID171446035
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide
SMILESNc1nccc2ccc(-c3ccc4[nH]nc(C(=O)NCC5CCC(O)CC5)c4c3)cc12
InChIInChI=1S/C24H25N5O2/c25-23-19-11-16(4-3-15(19)9-10-26-23)17-5-8-21-20(12-17)22(29-28-21)24(31)27-13-14-1-6-18(30)7-2-14/h3-5,8-12,14,18,30H,1-2,6-7,13H2,(H2,25,26)(H,27,31)(H,28,29)
InChIKeyVDYCGKOLWCZRNI-UHFFFAOYSA-N
XLogP3.64
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 171446161
5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 171446132
5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide
CID 171446247
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 22260995
5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 118382105
5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
CID 118382332
N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382047
5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037293
N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-6-carboxamide
CID 106121573
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide
CID 120945759

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide (CID 171446035) is 5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide is Nc1nccc2ccc(-c3ccc4[nH]nc(C(=O)NCC5CCC(O)CC5)c4c3)cc12.
What is the InChIKey of 5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is VDYCGKOLWCZRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-23-19-11-16(4-3-15(19)9-10-26-23)17-5-8-21-20(12-17)22(29-28-21)24(31)27-13-14-1-6-18(30)7-2-14/h3-5,8-12,14,18,30H,1-2,6-7,13H2,(H2,25,26)(H,27,31)(H,28,29).
What are the key properties of 5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide?
5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 171446035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).