1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

C25H34N8O — CID 156813420

IUPAC1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCOc1cc(C2CCN(C)CC2)cnc1Cn1ncc2nc(N)nc(NCC3CC4(CC4)C3)c21
InChIInChI=1S/C25H34N8O/c1-32-7-3-17(4-8-32)18-9-21(34-2)20(27-13-18)15-33-22-19(14-29-33)30-24(26)31-23(22)28-12-16-10-25(11-16)5-6-25/h9,13-14,16-17H,3-8,10-12,15H2,1-2H3,(H3,26,28,30,31)
InChIKeyWIFAHXZEINUBBU-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.27
Rot. Bonds7

About 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 156813420) has the molecular formula C25H34N8O and a molecular weight of 462.60 g/mol. Its IUPAC name is 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID156813420
Molecular FormulaC25H34N8O
Molecular Weight462.60 g/mol
Exact Mass462.29
IUPAC Name1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCOc1cc(C2CCN(C)CC2)cnc1Cn1ncc2nc(N)nc(NCC3CC4(CC4)C3)c21
InChIInChI=1S/C25H34N8O/c1-32-7-3-17(4-8-32)18-9-21(34-2)20(27-13-18)15-33-22-19(14-29-33)30-24(26)31-23(22)28-12-16-10-25(11-16)5-6-25/h9,13-14,16-17H,3-8,10-12,15H2,1-2H3,(H3,26,28,30,31)
InChIKeyWIFAHXZEINUBBU-UHFFFAOYSA-N
XLogP3.27
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine with MolForge

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Related Compounds

1-[(3-methoxy-5-piperidin-4-yl-2-pyridinyl)methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156813398
1-[4-[6-[[5-amino-7-(butylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-5-methoxy-3-pyridinyl]piperidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 166695183
4-[[5-amino-7-(spiro[2.3]hexan-5-ylmethylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 156812836
1-[4-[6-[[5-amino-7-(butylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-5-methoxy-3-pyridinyl]piperidin-1-yl]-2-chloroethanone
CID 165370799
7-N-butyl-1-[[3-methoxy-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156813388
7-N-butyl-1-[[3-methoxy-5-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156813378
1-[[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 166684844
1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156812766
1-[[3-methoxy-5-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156813453
(3S)-3-[[5-amino-1-[[3-methoxy-5-[2-(oxan-4-yl)-2-azaspiro[3.5]nonan-7-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 166684861
1-[[4-[[5-amino-7-[(2,2-difluorospiro[2.3]hexan-5-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxyphenyl]methyl]piperidin-4-ol
CID 166685008
tert-butyl 2-[6-[[5-amino-7-(1-hydroxyhexan-3-ylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-5-methoxy-3-pyridinyl]piperidine-1-carboxylate
CID 156813514

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (CID 156813420) is 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is COc1cc(C2CCN(C)CC2)cnc1Cn1ncc2nc(N)nc(NCC3CC4(CC4)C3)c21.
What is the InChIKey of 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is WIFAHXZEINUBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O/c1-32-7-3-17(4-8-32)18-9-21(34-2)20(27-13-18)15-33-22-19(14-29-33)30-24(26)31-23(22)28-12-16-10-25(11-16)5-6-25/h9,13-14,16-17H,3-8,10-12,15H2,1-2H3,(H3,26,28,30,31).
What are the key properties of 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 462.60 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 156813420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).