5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone

C42H50N12OS2 — CID 158697925

IUPAC5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1.c1nc2ccc(Nc3nnc(C4CCCC4)s3)nc2cc1C1CCNCC1
InChIInChI=1S/C22H26N6OS.C20H24N6S/c1-14(29)28-10-8-15(9-11-28)17-12-19-18(23-13-17)6-7-20(24-19)25-22-27-26-21(30-22)16-4-2-3-5-16;1-2-4-14(3-1)19-25-26-20(27-19)24-18-6-5-16-17(23-18)11-15(12-22-16)13-7-9-21-10-8-13/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,24,25,27);5-6,11-14,21H,1-4,7-10H2,(H,23,24,26)
InChIKeyIHEFLFAPTCYYDG-UHFFFAOYSA-N
MW803.08 g/mol
LogP8.96
Rot. Bonds8

About 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone

5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone (PubChem CID 158697925) has the molecular formula C42H50N12OS2 and a molecular weight of 803.08 g/mol. Its IUPAC name is 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone
PubChem CID158697925
Molecular FormulaC42H50N12OS2
Molecular Weight803.08 g/mol
Exact Mass802.37
IUPAC Name5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1.c1nc2ccc(Nc3nnc(C4CCCC4)s3)nc2cc1C1CCNCC1
InChIInChI=1S/C22H26N6OS.C20H24N6S/c1-14(29)28-10-8-15(9-11-28)17-12-19-18(23-13-17)6-7-20(24-19)25-22-27-26-21(30-22)16-4-2-3-5-16;1-2-4-14(3-1)19-25-26-20(27-19)24-18-6-5-16-17(23-18)11-15(12-22-16)13-7-9-21-10-8-13/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,24,25,27);5-6,11-14,21H,1-4,7-10H2,(H,23,24,26)
InChIKeyIHEFLFAPTCYYDG-UHFFFAOYSA-N
XLogP8.96
TPSA159.52 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500803.08
LogP ≤ 58.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone
CID 90288026
1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone
CID 118503874
6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-ol
CID 136929515
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine
CID 118503944
N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine
CID 90288215
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine
CID 118503901
5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288369
5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 118507180
7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine
CID 118503889
5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288286
5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288273
5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 118497370

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone (CID 158697925) is 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1.c1nc2ccc(Nc3nnc(C4CCCC4)s3)nc2cc1C1CCNCC1.
What is the InChIKey of 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is IHEFLFAPTCYYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS.C20H24N6S/c1-14(29)28-10-8-15(9-11-28)17-12-19-18(23-13-17)6-7-20(24-19)25-22-27-26-21(30-22)16-4-2-3-5-16;1-2-4-14(3-1)19-25-26-20(27-19)24-18-6-5-16-17(23-18)11-15(12-22-16)13-7-9-21-10-8-13/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,24,25,27);5-6,11-14,21H,1-4,7-10H2,(H,23,24,26).
What are the key properties of 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone?
5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 803.08 g/mol, XLogP of 8.96, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 158697925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).