N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C20H30N6O2 — CID 95724463

IUPACN-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCC2(CCN(c3nc(C(C)C)nc4c3cnn4C)CC2)O1
InChIInChI=1S/C20H30N6O2/c1-13(2)17-23-18-16(12-22-25(18)4)19(24-17)26-9-7-20(8-10-26)6-5-15(28-20)11-21-14(3)27/h12-13,15H,5-11H2,1-4H3,(H,21,27)/t15-/m1/s1
InChIKeyJZXDYWUPWHMKAZ-OAHLLOKOSA-N
MW386.50 g/mol
LogP2.14
Rot. Bonds4

About N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 95724463) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID95724463
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCC2(CCN(c3nc(C(C)C)nc4c3cnn4C)CC2)O1
InChIInChI=1S/C20H30N6O2/c1-13(2)17-23-18-16(12-22-25(18)4)19(24-17)26-9-7-20(8-10-26)6-5-15(28-20)11-21-14(3)27/h12-13,15H,5-11H2,1-4H3,(H,21,27)/t15-/m1/s1
InChIKeyJZXDYWUPWHMKAZ-OAHLLOKOSA-N
XLogP2.14
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 95896672
N-[[8-(5-acetyl-4-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 72912414
4-(4-ethylpiperazin-1-yl)-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 56890443
N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 56892786
N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 97205852
9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane
CID 56911277
4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 95708844
(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 95720333
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 124749619
2-methyl-N-[[(2R)-8-(naphthalen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 42370794
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CID 120704533

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 95724463) is N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1CCC2(CCN(c3nc(C(C)C)nc4c3cnn4C)CC2)O1.
What is the InChIKey of N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is JZXDYWUPWHMKAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-13(2)17-23-18-16(12-22-25(18)4)19(24-17)26-9-7-20(8-10-26)6-5-15(28-20)11-21-14(3)27/h12-13,15H,5-11H2,1-4H3,(H,21,27)/t15-/m1/s1.
What are the key properties of N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 95724463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).