3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide

C18H24N4O — CID 119756804

IUPAC3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)n1ncc2ccc(NC(=O)C3C4CCC(C4)C3N)cc21
InChIInChI=1S/C18H24N4O/c1-10(2)22-15-8-14(6-5-13(15)9-20-22)21-18(23)16-11-3-4-12(7-11)17(16)19/h5-6,8-12,16-17H,3-4,7,19H2,1-2H3,(H,21,23)
InChIKeyHDQHAUCPBUEGBE-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.93
Rot. Bonds3

About 3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119756804) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119756804
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)n1ncc2ccc(NC(=O)C3C4CCC(C4)C3N)cc21
InChIInChI=1S/C18H24N4O/c1-10(2)22-15-8-14(6-5-13(15)9-20-22)21-18(23)16-11-3-4-12(7-11)17(16)19/h5-6,8-12,16-17H,3-4,7,19H2,1-2H3,(H,21,23)
InChIKeyHDQHAUCPBUEGBE-UHFFFAOYSA-N
XLogP2.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119797067
(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide
CID 120928646
3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119780316
3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride
CID 119756807
1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 75495671
3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea
CID 97215300
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119743286
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119756804) is 3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)n1ncc2ccc(NC(=O)C3C4CCC(C4)C3N)cc21.
What is the InChIKey of 3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HDQHAUCPBUEGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-10(2)22-15-8-14(6-5-13(15)9-20-22)21-18(23)16-11-3-4-12(7-11)17(16)19/h5-6,8-12,16-17H,3-4,7,19H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119756804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).