2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C17H19N7OS — CID 171386783

IUPAC2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCc1nn2cc(CCNc3nc(C4CC4)nc4c3CCNC4=O)nc2s1
InChIInChI=1S/C17H19N7OS/c1-9-23-24-8-11(20-17(24)26-9)4-6-18-15-12-5-7-19-16(25)13(12)21-14(22-15)10-2-3-10/h8,10H,2-7H2,1H3,(H,19,25)(H,18,21,22)
InChIKeyNIOOCABKTWQMAP-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.71
Rot. Bonds5

About 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171386783) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171386783
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCc1nn2cc(CCNc3nc(C4CC4)nc4c3CCNC4=O)nc2s1
InChIInChI=1S/C17H19N7OS/c1-9-23-24-8-11(20-17(24)26-9)4-6-18-15-12-5-7-19-16(25)13(12)21-14(22-15)10-2-3-10/h8,10H,2-7H2,1H3,(H,19,25)(H,18,21,22)
InChIKeyNIOOCABKTWQMAP-UHFFFAOYSA-N
XLogP1.71
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one with MolForge

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Related Compounds

N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;hydrochloride
CID 154889878
2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387199
2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide
CID 39749826
2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388561
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110873512
2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646490
5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56907735
2-cyclopropyl-4-[[(1R,3S)-3-hydroxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387968
4-[[(2R)-3-(3-chloro-2-methylphenoxy)-2-hydroxypropyl]amino]-2-cyclopropyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387267
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]morpholine-4-carboxamide
CID 110873517
4-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387625
2-cyclopropyl-4-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387272

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171386783) is 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is Cc1nn2cc(CCNc3nc(C4CC4)nc4c3CCNC4=O)nc2s1.
What is the InChIKey of 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is NIOOCABKTWQMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-9-23-24-8-11(20-17(24)26-9)4-6-18-15-12-5-7-19-16(25)13(12)21-14(22-15)10-2-3-10/h8,10H,2-7H2,1H3,(H,19,25)(H,18,21,22).
What are the key properties of 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 369.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171386783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).