[5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

C27H34N6O4S — CID 142427940

IUPAC[5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESNC1=C(N)CN(C(=O)c2nc3c(s2)CN(C(=O)c2cnc(OCC4CCOCC4)c(C4CC4)c2)CC3)CC1
InChIInChI=1S/C27H34N6O4S/c28-20-3-7-32(13-21(20)29)27(35)25-31-22-4-8-33(14-23(22)38-25)26(34)18-11-19(17-1-2-17)24(30-12-18)37-15-16-5-9-36-10-6-16/h11-12,16-17H,1-10,13-15,28-29H2
InChIKeyOVHDBCALGQLQOH-UHFFFAOYSA-N
MW538.67 g/mol
LogP2.39
Rot. Bonds6

About [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

[5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 142427940) has the molecular formula C27H34N6O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID142427940
Molecular FormulaC27H34N6O4S
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC Name[5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESNC1=C(N)CN(C(=O)c2nc3c(s2)CN(C(=O)c2cnc(OCC4CCOCC4)c(C4CC4)c2)CC3)CC1
InChIInChI=1S/C27H34N6O4S/c28-20-3-7-32(13-21(20)29)27(35)25-31-22-4-8-33(14-23(22)38-25)26(34)18-11-19(17-1-2-17)24(30-12-18)37-15-16-5-9-36-10-6-16/h11-12,16-17H,1-10,13-15,28-29H2
InChIKeyOVHDBCALGQLQOH-UHFFFAOYSA-N
XLogP2.39
TPSA136.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]methanone
CID 175741648
[(3aS,6aS)-5-[5-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone
CID 118394288
5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid
CID 118394075
[2-cyclopropyl-6-(oxan-4-ylmethoxy)-4-pyridinyl]-[5-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine-5-carbonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]methanone
CID 126721511
5-[(3aR,6aR)-5-[5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]pyridine-2-sulfonamide
CID 118394088
2-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 135260201
2-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 135331270
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone
CID 56778296
[2-cyclopropyl-6-(oxan-4-ylmethoxy)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone;quinoline
CID 175331417
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-cyclopropyl-1H-indol-2-yl)methanone
CID 142576340
5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid
CID 125491947
6-cyclobutyloxy-5-cyclopropylpyridine-3-carboxylic acid
CID 89444053

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 142427940) is [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is NC1=C(N)CN(C(=O)c2nc3c(s2)CN(C(=O)c2cnc(OCC4CCOCC4)c(C4CC4)c2)CC3)CC1.
What is the InChIKey of [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is OVHDBCALGQLQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S/c28-20-3-7-32(13-21(20)29)27(35)25-31-22-4-8-33(14-23(22)38-25)26(34)18-11-19(17-1-2-17)24(30-12-18)37-15-16-5-9-36-10-6-16/h11-12,16-17H,1-10,13-15,28-29H2.
What are the key properties of [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
[5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 538.67 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]-[2-(4,5-diamino-3,6-dihydro-2H-pyridine-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 142427940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).