3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol

C23H25FN6O — CID 67008094

IUPAC3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol
SMILESC[C@H](Nc1cc(N2CC(O)(C3CC3)C2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H25FN6O/c1-15(16-2-6-18(24)7-3-16)27-20-10-19(30-13-23(31,14-30)17-4-5-17)11-21(28-20)29-22-12-25-8-9-26-22/h2-3,6-12,15,17,31H,4-5,13-14H2,1H3,(H2,26,27,28,29)/t15-/m0/s1
InChIKeyNIMWZKLAGCRKLY-HNNXBMFYSA-N
MW420.49 g/mol
LogP3.89
Rot. Bonds7

About 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol

3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol (PubChem CID 67008094) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol
PubChem CID67008094
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol
SMILESC[C@H](Nc1cc(N2CC(O)(C3CC3)C2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H25FN6O/c1-15(16-2-6-18(24)7-3-16)27-20-10-19(30-13-23(31,14-30)17-4-5-17)11-21(28-20)29-22-12-25-8-9-26-22/h2-3,6-12,15,17,31H,4-5,13-14H2,1H3,(H2,26,27,28,29)/t15-/m0/s1
InChIKeyNIMWZKLAGCRKLY-HNNXBMFYSA-N
XLogP3.89
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]-3-methylazetidin-3-ol
CID 67007064
1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol
CID 67007656
[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-yl]methanol
CID 141271548
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 70672027
1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol
CID 67007522
1-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 67007663
1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride
CID 67008144
6-N-[1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 75236651
2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol
CID 46866428
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 167418725
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 56837785
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol (CID 67008094) is 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol is C[C@H](Nc1cc(N2CC(O)(C3CC3)C2)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol?
The InChIKey is NIMWZKLAGCRKLY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-15(16-2-6-18(24)7-3-16)27-20-10-19(30-13-23(31,14-30)17-4-5-17)11-21(28-20)29-22-12-25-8-9-26-22/h2-3,6-12,15,17,31H,4-5,13-14H2,1H3,(H2,26,27,28,29)/t15-/m0/s1.
What are the key properties of 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol?
3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol has a molecular weight of 420.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol is sourced from PubChem (CID 67008094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).