3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine

C22H29N5O2 — CID 110234058

IUPAC3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(CN2CCCC(c3nn(C)c4nccnc34)C2)cc1OC(C)C
InChIInChI=1S/C22H29N5O2/c1-15(2)29-19-12-16(7-8-18(19)28-4)13-27-11-5-6-17(14-27)20-21-22(26(3)25-20)24-10-9-23-21/h7-10,12,15,17H,5-6,11,13-14H2,1-4H3
InChIKeySFEDVNZBNKFRSO-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.54
Rot. Bonds6

About 3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine

3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine (PubChem CID 110234058) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
PubChem CID110234058
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(CN2CCCC(c3nn(C)c4nccnc34)C2)cc1OC(C)C
InChIInChI=1S/C22H29N5O2/c1-15(2)29-19-12-16(7-8-18(19)28-4)13-27-11-5-6-17(14-27)20-21-22(26(3)25-20)24-10-9-23-21/h7-10,12,15,17H,5-6,11,13-14H2,1-4H3
InChIKeySFEDVNZBNKFRSO-UHFFFAOYSA-N
XLogP3.54
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 95855386
1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234045
1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 95853481
1-methyl-3-[1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234032
1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride
CID 118741951
(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 51587835
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 136519607
(2,3-dimethoxyphenyl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110236539
2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92552953
3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566391
3-(bromomethyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 80680131
4-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
CID 45183047

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine (CID 110234058) is 3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine is COc1ccc(CN2CCCC(c3nn(C)c4nccnc34)C2)cc1OC(C)C.
What is the InChIKey of 3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
The InChIKey is SFEDVNZBNKFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-15(2)29-19-12-16(7-8-18(19)28-4)13-27-11-5-6-17(14-27)20-21-22(26(3)25-20)24-10-9-23-21/h7-10,12,15,17H,5-6,11,13-14H2,1-4H3.
What are the key properties of 3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine has a molecular weight of 395.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 110234058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).