4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C23H35N5O2 — CID 155120196

IUPAC4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCC[C@@H](C)Nc1ncc2c(OC3CCN(C)CC3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C23H35N5O2/c1-4-15(2)26-23-25-14-20-21(27-23)19(16-5-7-17(29)8-6-16)13-24-22(20)30-18-9-11-28(3)12-10-18/h13-18,29H,4-12H2,1-3H3,(H,25,26,27)/t15-,16?,17?/m1/s1
InChIKeyGIJFOMCCLCVBTL-KLAILNCOSA-N
MW413.57 g/mol
LogP3.73
Rot. Bonds6

About 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 155120196) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID155120196
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Name4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCC[C@@H](C)Nc1ncc2c(OC3CCN(C)CC3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C23H35N5O2/c1-4-15(2)26-23-25-14-20-21(27-23)19(16-5-7-17(29)8-6-16)13-24-22(20)30-18-9-11-28(3)12-10-18/h13-18,29H,4-12H2,1-3H3,(H,25,26,27)/t15-,16?,17?/m1/s1
InChIKeyGIJFOMCCLCVBTL-KLAILNCOSA-N
XLogP3.73
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137419878
4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420276
4-[2-[[(2S)-butan-2-yl]amino]-5-(5-hydroxypentoxy)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120191
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155100440
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[(4R)-1,2,2-trimethylpiperidin-4-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137419907
4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120004
4-[[2-[[(2S)-butan-2-yl]amino]-8-(4-hydroxycyclohexyl)pyrido[4,3-d]pyrimidin-5-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol
CID 137420346
4-[5-[3-(morpholin-4-ylmethyl)cyclobutyl]oxy-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420267
4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420172
N-[3-[8-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-yl]oxycyclobutyl]acetamide
CID 137420302
N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 137420280
4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 160591031

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 155120196) is 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is CC[C@@H](C)Nc1ncc2c(OC3CCN(C)CC3)ncc(C3CCC(O)CC3)c2n1.
What is the InChIKey of 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is GIJFOMCCLCVBTL-KLAILNCOSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-4-15(2)26-23-25-14-20-21(27-23)19(16-5-7-17(29)8-6-16)13-24-22(20)30-18-9-11-28(3)12-10-18/h13-18,29H,4-12H2,1-3H3,(H,25,26,27)/t15-,16?,17?/m1/s1.
What are the key properties of 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 413.57 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 155120196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).