1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C21H30N6O3S — CID 26224655

IUPAC1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)c1nc(C(=O)N2CCc3c(c(C(=O)NCCN4CCOCC4)nn3C)C2)cs1
InChIInChI=1S/C21H30N6O3S/c1-14(2)20-23-16(13-31-20)21(29)27-6-4-17-15(12-27)18(24-25(17)3)19(28)22-5-7-26-8-10-30-11-9-26/h13-14H,4-12H2,1-3H3,(H,22,28)
InChIKeyNEOFSQATCQWSNR-UHFFFAOYSA-N
MW446.58 g/mol
LogP1.26
Rot. Bonds6

About 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26224655) has the molecular formula C21H30N6O3S and a molecular weight of 446.58 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26224655
Molecular FormulaC21H30N6O3S
Molecular Weight446.58 g/mol
Exact Mass446.21
IUPAC Name1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)c1nc(C(=O)N2CCc3c(c(C(=O)NCCN4CCOCC4)nn3C)C2)cs1
InChIInChI=1S/C21H30N6O3S/c1-14(2)20-23-16(13-31-20)21(29)27-6-4-17-15(12-27)18(24-25(17)3)19(28)22-5-7-26-8-10-30-11-9-26/h13-14H,4-12H2,1-3H3,(H,22,28)
InChIKeyNEOFSQATCQWSNR-UHFFFAOYSA-N
XLogP1.26
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26229552
N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138834
N-benzyl-1-methyl-5-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162521
N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26230011
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585530
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
2-(4-acetylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109083708
4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide
CID 95052827
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119393049
2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111090626

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26224655) is 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)c1nc(C(=O)N2CCc3c(c(C(=O)NCCN4CCOCC4)nn3C)C2)cs1.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NEOFSQATCQWSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O3S/c1-14(2)20-23-16(13-31-20)21(29)27-6-4-17-15(12-27)18(24-25(17)3)19(28)22-5-7-26-8-10-30-11-9-26/h13-14H,4-12H2,1-3H3,(H,22,28).
What are the key properties of 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylethyl)-5-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26224655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).