3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C25H22N8S — CID 176982007

IUPAC3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3nnc(C4CC4)s3)nc2n1-c1ccc2c(c1)CCC2N
InChIInChI=1S/C25H22N8S/c26-18-8-5-14-12-15(6-7-16(14)18)33-22(17-2-1-11-28-21(17)27)29-19-9-10-20(30-23(19)33)25-32-31-24(34-25)13-3-4-13/h1-2,6-7,9-13,18H,3-5,8,26H2,(H2,27,28)
InChIKeyRFAPIFBGXCPSFA-UHFFFAOYSA-N
MW466.57 g/mol
LogP4.41
Rot. Bonds4

About 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176982007) has the molecular formula C25H22N8S and a molecular weight of 466.57 g/mol. Its IUPAC name is 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID176982007
Molecular FormulaC25H22N8S
Molecular Weight466.57 g/mol
Exact Mass466.17
IUPAC Name3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3nnc(C4CC4)s3)nc2n1-c1ccc2c(c1)CCC2N
InChIInChI=1S/C25H22N8S/c26-18-8-5-14-12-15(6-7-16(14)18)33-22(17-2-1-11-28-21(17)27)29-19-9-10-20(30-23(19)33)25-32-31-24(34-25)13-3-4-13/h1-2,6-7,9-13,18H,3-5,8,26H2,(H2,27,28)
InChIKeyRFAPIFBGXCPSFA-UHFFFAOYSA-N
XLogP4.41
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176982008
3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176982092
3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176981699
3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177272462
1-[4-[[(1R)-5-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperazin-1-yl]prop-2-en-1-one
CID 176981698
3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177272579
1-[4-[[5-[2-(2-amino-3-pyridinyl)-5-(5-methyl-1,3-oxazol-2-yl)imidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 176981670
3-[3-[(1S)-1-[1-(6-methyl-3-pyridinyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177272588
3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177272675
3-[3-[1-[(1,1-dioxothian-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176699649
[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495649
3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176699005

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176982007) is 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-c3nnc(C4CC4)s3)nc2n1-c1ccc2c(c1)CCC2N.
What is the InChIKey of 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is RFAPIFBGXCPSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8S/c26-18-8-5-14-12-15(6-7-16(14)18)33-22(17-2-1-11-28-21(17)27)29-19-9-10-20(30-23(19)33)25-32-31-24(34-25)13-3-4-13/h1-2,6-7,9-13,18H,3-5,8,26H2,(H2,27,28).
What are the key properties of 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 466.57 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176982007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).