4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine

C18H20ClN5O — CID 163352971

IUPAC4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCCC(COc4ncccc4Cl)C3)nccn2n1
InChIInChI=1S/C18H20ClN5O/c1-13-10-16-17(20-7-9-24(16)22-13)23-8-3-4-14(11-23)12-25-18-15(19)5-2-6-21-18/h2,5-7,9-10,14H,3-4,8,11-12H2,1H3
InChIKeyFBUOYQFQRRMSIO-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.38
Rot. Bonds4

About 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine

4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine (PubChem CID 163352971) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
PubChem CID163352971
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCCC(COc4ncccc4Cl)C3)nccn2n1
InChIInChI=1S/C18H20ClN5O/c1-13-10-16-17(20-7-9-24(16)22-13)23-8-3-4-14(11-23)12-25-18-15(19)5-2-6-21-18/h2,5-7,9-10,14H,3-4,8,11-12H2,1H3
InChIKeyFBUOYQFQRRMSIO-UHFFFAOYSA-N
XLogP3.38
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine with MolForge

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Related Compounds

4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 104733894
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
CID 163354645
5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352850
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163352973
N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 104733601
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 163352426
4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 104733876
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 166601620
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N-propylpiperidin-3-amine
CID 104729270
N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]acetamide
CID 133489997

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine (CID 163352971) is 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine is Cc1cc2c(N3CCCC(COc4ncccc4Cl)C3)nccn2n1.
What is the InChIKey of 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The InChIKey is FBUOYQFQRRMSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-13-10-16-17(20-7-9-24(16)22-13)23-8-3-4-14(11-23)12-25-18-15(19)5-2-6-21-18/h2,5-7,9-10,14H,3-4,8,11-12H2,1H3.
What are the key properties of 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine has a molecular weight of 357.85 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 163352971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).