(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride

C34H45ClN10O3 — CID 161316979

IUPAC(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
SMILESCN1CCC(C(=O)O)c2cccnc21.CN1CCC(C(=O)n2nc3c(c2N)CCCC3)c2cccnc21.Cl.Nc1n[nH]c2c1CCCC2
InChIInChI=1S/C17H21N5O.C10H12N2O2.C7H11N3.ClH/c1-21-10-8-12(11-6-4-9-19-16(11)21)17(23)22-15(18)13-5-2-3-7-14(13)20-22;1-12-6-4-8(10(13)14)7-3-2-5-11-9(7)12;8-7-5-3-1-2-4-6(5)9-10-7;/h4,6,9,12H,2-3,5,7-8,10,18H2,1H3;2-3,5,8H,4,6H2,1H3,(H,13,14);1-4H2,(H3,8,9,10);1H
InChIKeyANJKEQZSGJNYOB-UHFFFAOYSA-N
MW677.25 g/mol
LogP4.39
Rot. Bonds2

About (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride

(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride (PubChem CID 161316979) has the molecular formula C34H45ClN10O3 and a molecular weight of 677.25 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride.

Molecular Properties

Compound Name(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
PubChem CID161316979
Molecular FormulaC34H45ClN10O3
Molecular Weight677.25 g/mol
Exact Mass676.34
IUPAC Name(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
SMILESCN1CCC(C(=O)O)c2cccnc21.CN1CCC(C(=O)n2nc3c(c2N)CCCC3)c2cccnc21.Cl.Nc1n[nH]c2c1CCCC2
InChIInChI=1S/C17H21N5O.C10H12N2O2.C7H11N3.ClH/c1-21-10-8-12(11-6-4-9-19-16(11)21)17(23)22-15(18)13-5-2-3-7-14(13)20-22;1-12-6-4-8(10(13)14)7-3-2-5-11-9(7)12;8-7-5-3-1-2-4-6(5)9-10-7;/h4,6,9,12H,2-3,5,7-8,10,18H2,1H3;2-3,5,8H,4,6H2,1H3,(H,13,14);1-4H2,(H3,8,9,10);1H
InChIKeyANJKEQZSGJNYOB-UHFFFAOYSA-N
XLogP4.39
TPSA185.17 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.25
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride with MolForge

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Related Compounds

(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
CID 157235547
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
CID 159685737
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
CID 157154035
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 161331389
[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane
CID 157348334
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 161235447
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol
CID 145408187
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 159291393
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 158763929
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone
CID 157219823
[(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid
CID 138708049
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 159680242

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?
The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride (CID 161316979) is (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride.
What is the SMILES notation for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?
The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride is CN1CCC(C(=O)O)c2cccnc21.CN1CCC(C(=O)n2nc3c(c2N)CCCC3)c2cccnc21.Cl.Nc1n[nH]c2c1CCCC2.
What is the InChIKey of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?
The InChIKey is ANJKEQZSGJNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O.C10H12N2O2.C7H11N3.ClH/c1-21-10-8-12(11-6-4-9-19-16(11)21)17(23)22-15(18)13-5-2-3-7-14(13)20-22;1-12-6-4-8(10(13)14)7-3-2-5-11-9(7)12;8-7-5-3-1-2-4-6(5)9-10-7;/h4,6,9,12H,2-3,5,7-8,10,18H2,1H3;2-3,5,8H,4,6H2,1H3,(H,13,14);1-4H2,(H3,8,9,10);1H.
What are the key properties of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride has a molecular weight of 677.25 g/mol, XLogP of 4.39, 2 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl)methanone;1-methyl-3,4-dihydro-2H-1,8-naphthyridine-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride is sourced from PubChem (CID 161316979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).