(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C18H19N5O2S — CID 46987105

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCc2[nH]nc(COc3ccccc3)c2C1
InChIInChI=1S/C18H19N5O2S/c1-11-16(26-18(19)20-11)17(24)23-8-7-14-13(9-23)15(22-21-14)10-25-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,19,20)(H,21,22)
InChIKeyCNINNICIJQBGRC-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.53
Rot. Bonds4

About (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 46987105) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID46987105
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCc2[nH]nc(COc3ccccc3)c2C1
InChIInChI=1S/C18H19N5O2S/c1-11-16(26-18(19)20-11)17(24)23-8-7-14-13(9-23)15(22-21-14)10-25-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,19,20)(H,21,22)
InChIKeyCNINNICIJQBGRC-UHFFFAOYSA-N
XLogP2.53
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46999531
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46982336
[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
CID 46994987
5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585612
(3-benzyl-4-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)-phenylmethanone
CID 70510356
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 29170162
(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 47000148
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409280
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46969443
[5-(2-phenoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl] hypoiodite
CID 145116781
N-benzyl-5-(4-methoxybenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873475
2-(4-methylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 121442780

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 46987105) is (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is Cc1nc(N)sc1C(=O)N1CCc2[nH]nc(COc3ccccc3)c2C1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is CNINNICIJQBGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-11-16(26-18(19)20-11)17(24)23-8-7-14-13(9-23)15(22-21-14)10-25-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,19,20)(H,21,22).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 369.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 46987105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).