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

C25H30FN7O — CID 67007522

IUPAC1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol
SMILESC[C@H](Nc1cc(N2CC(N3CCC(O)CC3)C2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C25H30FN7O/c1-17(18-2-4-19(26)5-3-18)29-23-12-20(13-24(30-23)31-25-14-27-8-9-28-25)33-15-21(16-33)32-10-6-22(34)7-11-32/h2-5,8-9,12-14,17,21-22,34H,6-7,10-11,15-16H2,1H3,(H2,28,29,30,31)/t17-/m0/s1
InChIKeyPUZCZWNTIXNVAO-KRWDZBQOSA-N
MW463.56 g/mol
LogP3.57
Rot. Bonds7

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

1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol (PubChem CID 67007522) has the molecular formula C25H30FN7O and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol
PubChem CID67007522
Molecular FormulaC25H30FN7O
Molecular Weight463.56 g/mol
Exact Mass463.25
IUPAC Name1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol
SMILESC[C@H](Nc1cc(N2CC(N3CCC(O)CC3)C2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C25H30FN7O/c1-17(18-2-4-19(26)5-3-18)29-23-12-20(13-24(30-23)31-25-14-27-8-9-28-25)33-15-21(16-33)32-10-6-22(34)7-11-32/h2-5,8-9,12-14,17,21-22,34H,6-7,10-11,15-16H2,1H3,(H2,28,29,30,31)/t17-/m0/s1
InChIKeyPUZCZWNTIXNVAO-KRWDZBQOSA-N
XLogP3.57
TPSA89.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol (CID 67007522) is 1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol is C[C@H](Nc1cc(N2CC(N3CCC(O)CC3)C2)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol?
The InChIKey is PUZCZWNTIXNVAO-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H30FN7O/c1-17(18-2-4-19(26)5-3-18)29-23-12-20(13-24(30-23)31-25-14-27-8-9-28-25)33-15-21(16-33)32-10-6-22(34)7-11-32/h2-5,8-9,12-14,17,21-22,34H,6-7,10-11,15-16H2,1H3,(H2,28,29,30,31)/t17-/m0/s1.
What are the key properties of 1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol?
1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol has a molecular weight of 463.56 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol is sourced from PubChem (CID 67007522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).