2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine

C18H19ClN6O — CID 154830090

IUPAC2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cnc(OC3CCN(c4ccncc4Cl)CC3)nc2)cn1
InChIInChI=1S/C18H19ClN6O/c1-24-12-14(10-23-24)13-8-21-18(22-9-13)26-15-3-6-25(7-4-15)17-2-5-20-11-16(17)19/h2,5,8-12,15H,3-4,6-7H2,1H3
InChIKeyIEHAZNPFPATPEA-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.97
Rot. Bonds4

About 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine

2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 154830090) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID154830090
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cnc(OC3CCN(c4ccncc4Cl)CC3)nc2)cn1
InChIInChI=1S/C18H19ClN6O/c1-24-12-14(10-23-24)13-8-21-18(22-9-13)26-15-3-6-25(7-4-15)17-2-5-20-11-16(17)19/h2,5,8-12,15H,3-4,6-7H2,1H3
InChIKeyIEHAZNPFPATPEA-UHFFFAOYSA-N
XLogP2.97
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine
CID 154583495
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345883
5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole
CID 154853735
2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline
CID 154883270
2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154853753
2-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154883246
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine
CID 136551054
3-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 106838460
3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 71977831
4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 154582809
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
3-[2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 154583961

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine (CID 154830090) is 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2cnc(OC3CCN(c4ccncc4Cl)CC3)nc2)cn1.
What is the InChIKey of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is IEHAZNPFPATPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-24-12-14(10-23-24)13-8-21-18(22-9-13)26-15-3-6-25(7-4-15)17-2-5-20-11-16(17)19/h2,5,8-12,15H,3-4,6-7H2,1H3.
What are the key properties of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine?
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 370.84 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 154830090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).