N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide

C22H25N5O2 — CID 166234870

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)CN2CCc3ccccc3C2)c(-c2cccnc2)n1
InChIInChI=1S/C22H25N5O2/c1-26-15-20(21(25-26)17-7-4-9-23-11-17)22(29)24-12-19(28)14-27-10-8-16-5-2-3-6-18(16)13-27/h2-7,9,11,15,19,28H,8,10,12-14H2,1H3,(H,24,29)
InChIKeyJTQGTTANWLDNNS-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.63
Rot. Bonds6

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 166234870) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID166234870
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)CN2CCc3ccccc3C2)c(-c2cccnc2)n1
InChIInChI=1S/C22H25N5O2/c1-26-15-20(21(25-26)17-7-4-9-23-11-17)22(29)24-12-19(28)14-27-10-8-16-5-2-3-6-18(16)13-27/h2-7,9,11,15,19,28H,8,10,12-14H2,1H3,(H,24,29)
InChIKeyJTQGTTANWLDNNS-UHFFFAOYSA-N
XLogP1.63
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;ethane
CID 162114767
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;ethane
CID 162114766
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(pyridin-3-ylmethyl)urea
CID 110893301
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-3-carboxamide;ethane
CID 159426980
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-3-carboxamide;ethane
CID 159426981
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxybutyl]pyridine-3-carboxamide
CID 131971608
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 123956111
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 47074904
(6S)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138634463
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxamide
CID 118553946
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
CID 97237895
2-(azetidin-3-ylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide
CID 139296854

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 166234870) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC(O)CN2CCc3ccccc3C2)c(-c2cccnc2)n1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is JTQGTTANWLDNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26-15-20(21(25-26)17-7-4-9-23-11-17)22(29)24-12-19(28)14-27-10-8-16-5-2-3-6-18(16)13-27/h2-7,9,11,15,19,28H,8,10,12-14H2,1H3,(H,24,29).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 166234870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).