1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol

C23H27N5O2 — CID 90990792

IUPAC1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol
SMILESCc1ccc(Nc2ccc(Oc3nccnc3C3CCN(C(C)O)CC3)cc2)nc1
InChIInChI=1S/C23H27N5O2/c1-16-3-8-21(26-15-16)27-19-4-6-20(7-5-19)30-23-22(24-11-12-25-23)18-9-13-28(14-10-18)17(2)29/h3-8,11-12,15,17-18,29H,9-10,13-14H2,1-2H3,(H,26,27)
InChIKeyYHFHUABVZNZKDY-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.23
Rot. Bonds6

About 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol

1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol (PubChem CID 90990792) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol
PubChem CID90990792
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol
SMILESCc1ccc(Nc2ccc(Oc3nccnc3C3CCN(C(C)O)CC3)cc2)nc1
InChIInChI=1S/C23H27N5O2/c1-16-3-8-21(26-15-16)27-19-4-6-20(7-5-19)30-23-22(24-11-12-25-23)18-9-13-28(14-10-18)17(2)29/h3-8,11-12,15,17-18,29H,9-10,13-14H2,1-2H3,(H,26,27)
InChIKeyYHFHUABVZNZKDY-UHFFFAOYSA-N
XLogP4.23
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol 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-{3-[4-(1h-Benzimidazol-2-Ylamino)phenoxy]pyridin-2-Yl}piperidin-4-Yl)methanol
CID 70679302
Pyrazine-Pyridine Biheteroaryl 15
CID 5330360
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
[1-[3-[4-[(1-Methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 71452430

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol (CID 90990792) is 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol is Cc1ccc(Nc2ccc(Oc3nccnc3C3CCN(C(C)O)CC3)cc2)nc1.
What is the InChIKey of 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol?
The InChIKey is YHFHUABVZNZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-3-8-21(26-15-16)27-19-4-6-20(7-5-19)30-23-22(24-11-12-25-23)18-9-13-28(14-10-18)17(2)29/h3-8,11-12,15,17-18,29H,9-10,13-14H2,1-2H3,(H,26,27).
What are the key properties of 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol?
1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol has a molecular weight of 405.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 90990792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).