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

C21H18F2N6 — CID 176982008

IUPAC3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(C(F)F)nc2n1-c1ccc2c(c1)CC[C@@H]2N
InChIInChI=1S/C21H18F2N6/c22-18(23)16-7-8-17-21(27-16)29(20(28-17)14-2-1-9-26-19(14)25)12-4-5-13-11(10-12)3-6-15(13)24/h1-2,4-5,7-10,15,18H,3,6,24H2,(H2,25,26)/t15-/m0/s1
InChIKeyCETAFJCQNQYOPV-HNNXBMFYSA-N
MW392.41 g/mol
LogP3.95
Rot. Bonds3

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

3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176982008) has the molecular formula C21H18F2N6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID176982008
Molecular FormulaC21H18F2N6
Molecular Weight392.41 g/mol
Exact Mass392.16
IUPAC Name3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(C(F)F)nc2n1-c1ccc2c(c1)CC[C@@H]2N
InChIInChI=1S/C21H18F2N6/c22-18(23)16-7-8-17-21(27-16)29(20(28-17)14-2-1-9-26-19(14)25)12-4-5-13-11(10-12)3-6-15(13)24/h1-2,4-5,7-10,15,18H,3,6,24H2,(H2,25,26)/t15-/m0/s1
InChIKeyCETAFJCQNQYOPV-HNNXBMFYSA-N
XLogP3.95
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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
N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-(2-cyclopentylethynyl)imidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide
CID 176699666
N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-(2-cyclobutylethynyl)imidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide
CID 177272642
N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide
CID 176699133
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
6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176699603
N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 176699205
N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-fluorobenzamide
CID 176699508
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 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) is 3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(C(F)F)nc2n1-c1ccc2c(c1)CC[C@@H]2N.
What is the InChIKey of 3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is CETAFJCQNQYOPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18F2N6/c22-18(23)16-7-8-17-21(27-16)29(20(28-17)14-2-1-9-26-19(14)25)12-4-5-13-11(10-12)3-6-15(13)24/h1-2,4-5,7-10,15,18H,3,6,24H2,(H2,25,26)/t15-/m0/s1.
What are the key properties of 3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 392.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-5-(difluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176982008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).