(3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone

C17H20FN5O2 — CID 155330724

IUPAC(3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCOc1cc(F)cc2c1NCCC2C(=O)n1nc2c(c1N)CNCC2
InChIInChI=1S/C17H20FN5O2/c1-25-14-7-9(18)6-11-10(2-5-21-15(11)14)17(24)23-16(19)12-8-20-4-3-13(12)22-23/h6-7,10,20-21H,2-5,8,19H2,1H3
InChIKeyXUCXHUPQDKJWCF-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.50
Rot. Bonds2

About (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone

(3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 155330724) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID155330724
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name(3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCOc1cc(F)cc2c1NCCC2C(=O)n1nc2c(c1N)CNCC2
InChIInChI=1S/C17H20FN5O2/c1-25-14-7-9(18)6-11-10(2-5-21-15(11)14)17(24)23-16(19)12-8-20-4-3-13(12)22-23/h6-7,10,20-21H,2-5,8,19H2,1H3
InChIKeyXUCXHUPQDKJWCF-UHFFFAOYSA-N
XLogP1.50
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155330708
(8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone
CID 145408245
[(5R)-3-amino-5-methoxy-4,5,6,7-tetrahydroindazol-2-yl]-[(4S)-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]methanone;bis([(5R)-3-amino-5-methoxy-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone);methane
CID 157370603
(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-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-[(4S)-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]methanone;bis((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)
CID 165105284
(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 146712742
(3-amino-6-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 147174400
[(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 138708019
[(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid
CID 138708049
CID 163691758
CID 163691758
(3-amino-6-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 147872166
(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(1,2,3,4-tetrahydro-1,7-naphthyridin-4-yl)methanone
CID 155330777

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 155330724) is (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone is COc1cc(F)cc2c1NCCC2C(=O)n1nc2c(c1N)CNCC2.
What is the InChIKey of (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is XUCXHUPQDKJWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-25-14-7-9(18)6-11-10(2-5-21-15(11)14)17(24)23-16(19)12-8-20-4-3-13(12)22-23/h6-7,10,20-21H,2-5,8,19H2,1H3.
What are the key properties of (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 345.38 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 155330724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).