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

C25H27N5O2 — CID 59373971

IUPACcyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(Nc2ccc(Oc3nccnc3C3CCN(C(=O)C4CC4)CC3)cc2)nc1
InChIInChI=1S/C25H27N5O2/c1-17-2-9-22(28-16-17)29-20-5-7-21(8-6-20)32-24-23(26-12-13-27-24)18-10-14-30(15-11-18)25(31)19-3-4-19/h2,5-9,12-13,16,18-19H,3-4,10-11,14-15H2,1H3,(H,28,29)
InChIKeyPPPYSZLHBZXEOE-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.83
Rot. Bonds6

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

cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 59373971) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID59373971
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Namecyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(Nc2ccc(Oc3nccnc3C3CCN(C(=O)C4CC4)CC3)cc2)nc1
InChIInChI=1S/C25H27N5O2/c1-17-2-9-22(28-16-17)29-20-5-7-21(8-6-20)32-24-23(26-12-13-27-24)18-10-14-30(15-11-18)25(31)19-3-4-19/h2,5-9,12-13,16,18-19H,3-4,10-11,14-15H2,1H3,(H,28,29)
InChIKeyPPPYSZLHBZXEOE-UHFFFAOYSA-N
XLogP4.83
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

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-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269493
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
2-(cyclopropanecarbonylamino)-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide
CID 164623938
2-(Morpholin-4-Yl)-N-[4-(Pyridin-4-Yloxy)phenyl]pyridine-4-Carboxamide
CID 70679357
N-[4-(benzyloxy)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide
CID 3236785
2-(5-Methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
CID 45488325
3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10139085
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone (CID 59373971) is cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone is Cc1ccc(Nc2ccc(Oc3nccnc3C3CCN(C(=O)C4CC4)CC3)cc2)nc1.
What is the InChIKey of cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is PPPYSZLHBZXEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-17-2-9-22(28-16-17)29-20-5-7-21(8-6-20)32-24-23(26-12-13-27-24)18-10-14-30(15-11-18)25(31)19-3-4-19/h2,5-9,12-13,16,18-19H,3-4,10-11,14-15H2,1H3,(H,28,29).
What are the key properties of cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 429.52 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 59373971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).