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

C23H33N9O — CID 156813453

IUPAC1-[[3-methoxy-5-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCOc1cc(C2CCN(C3CN(C(C)C)C3)CC2)cnc1Cn1ncc2nc(N)nc(N)c21
InChIInChI=1S/C23H33N9O/c1-14(2)31-11-17(12-31)30-6-4-15(5-7-30)16-8-20(33-3)19(26-9-16)13-32-21-18(10-27-32)28-23(25)29-22(21)24/h8-10,14-15,17H,4-7,11-13H2,1-3H3,(H4,24,25,28,29)
InChIKeyMVDIZCISWSFZHC-UHFFFAOYSA-N
MW451.58 g/mol
LogP1.71
Rot. Bonds6

About 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

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 (PubChem CID 156813453) has the molecular formula C23H33N9O and a molecular weight of 451.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[3-methoxy-5-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID156813453
Molecular FormulaC23H33N9O
Molecular Weight451.58 g/mol
Exact Mass451.28
IUPAC Name1-[[3-methoxy-5-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCOc1cc(C2CCN(C3CN(C(C)C)C3)CC2)cnc1Cn1ncc2nc(N)nc(N)c21
InChIInChI=1S/C23H33N9O/c1-14(2)31-11-17(12-31)30-6-4-15(5-7-30)16-8-20(33-3)19(26-9-16)13-32-21-18(10-27-32)28-23(25)29-22(21)24/h8-10,14-15,17H,4-7,11-13H2,1-3H3,(H4,24,25,28,29)
InChIKeyMVDIZCISWSFZHC-UHFFFAOYSA-N
XLogP1.71
TPSA124.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C2CCN(C3CN(C(C)C)C3)CC2)cnc1Cn1ncc2nc(N)nc(N)c21.
What is the InChIKey of 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?
The InChIKey is MVDIZCISWSFZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N9O/c1-14(2)31-11-17(12-31)30-6-4-15(5-7-30)16-8-20(33-3)19(26-9-16)13-32-21-18(10-27-32)28-23(25)29-22(21)24/h8-10,14-15,17H,4-7,11-13H2,1-3H3,(H4,24,25,28,29).
What are the key properties of 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?
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 has a molecular weight of 451.58 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156813453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).