(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

C24H30N6O2 — CID 138634463

IUPAC(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
SMILESCn1cc([C@@H]2CCc3nc(C(=O)NCC(O)CN4CCc5ccccc5C4)cn3C2)cn1
InChIInChI=1S/C24H30N6O2/c1-28-12-20(10-26-28)19-6-7-23-27-22(16-30(23)14-19)24(32)25-11-21(31)15-29-9-8-17-4-2-3-5-18(17)13-29/h2-5,10,12,16,19,21,31H,6-9,11,13-15H2,1H3,(H,25,32)/t19-,21?/m1/s1
InChIKeyBEAJEKPCQRPDPA-YMBRHYMPSA-N
MW434.54 g/mol
LogP1.50
Rot. Bonds6

About (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

(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 (PubChem CID 138634463) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID138634463
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name(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
SMILESCn1cc([C@@H]2CCc3nc(C(=O)NCC(O)CN4CCc5ccccc5C4)cn3C2)cn1
InChIInChI=1S/C24H30N6O2/c1-28-12-20(10-26-28)19-6-7-23-27-22(16-30(23)14-19)24(32)25-11-21(31)15-29-9-8-17-4-2-3-5-18(17)13-29/h2-5,10,12,16,19,21,31H,6-9,11,13-15H2,1H3,(H,25,32)/t19-,21?/m1/s1
InChIKeyBEAJEKPCQRPDPA-YMBRHYMPSA-N
XLogP1.50
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

6-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138634545
(6S)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138634387
6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide
CID 138663594
6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138634502
6-[(4-cyanobenzoyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138664131
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 138634296
1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide
CID 163749776
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 138664084
6-(difluoromethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634515
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 138634556
6-bromo-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634378
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-3-carboxamide;ethane
CID 159426980

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cn1cc([C@@H]2CCc3nc(C(=O)NCC(O)CN4CCc5ccccc5C4)cn3C2)cn1.
What is the InChIKey of (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?
The InChIKey is BEAJEKPCQRPDPA-YMBRHYMPSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-28-12-20(10-26-28)19-6-7-23-27-22(16-30(23)14-19)24(32)25-11-21(31)15-29-9-8-17-4-2-3-5-18(17)13-29/h2-5,10,12,16,19,21,31H,6-9,11,13-15H2,1H3,(H,25,32)/t19-,21?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 434.54 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 138634463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).