4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C26H41N5O3 — CID 137419878

IUPAC4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCCCC(C)Nc1ncc2c(OC3CCN(CCOC)CC3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C26H41N5O3/c1-4-5-18(2)29-26-28-17-23-24(30-26)22(19-6-8-20(32)9-7-19)16-27-25(23)34-21-10-12-31(13-11-21)14-15-33-3/h16-21,32H,4-15H2,1-3H3,(H,28,29,30)
InChIKeyXHVYVVJAEJNBJQ-UHFFFAOYSA-N
MW471.65 g/mol
LogP4.13
Rot. Bonds10

About 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 137419878) has the molecular formula C26H41N5O3 and a molecular weight of 471.65 g/mol. Its IUPAC name is 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID137419878
Molecular FormulaC26H41N5O3
Molecular Weight471.65 g/mol
Exact Mass471.32
IUPAC Name4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCCCC(C)Nc1ncc2c(OC3CCN(CCOC)CC3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C26H41N5O3/c1-4-5-18(2)29-26-28-17-23-24(30-26)22(19-6-8-20(32)9-7-19)16-27-25(23)34-21-10-12-31(13-11-21)14-15-33-3/h16-21,32H,4-15H2,1-3H3,(H,28,29,30)
InChIKeyXHVYVVJAEJNBJQ-UHFFFAOYSA-N
XLogP4.13
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 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) is 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is CCCC(C)Nc1ncc2c(OC3CCN(CCOC)CC3)ncc(C3CCC(O)CC3)c2n1.
What is the InChIKey of 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is XHVYVVJAEJNBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O3/c1-4-5-18(2)29-26-28-17-23-24(30-26)22(19-6-8-20(32)9-7-19)16-27-25(23)34-21-10-12-31(13-11-21)14-15-33-3/h16-21,32H,4-15H2,1-3H3,(H,28,29,30).
What are the key properties of 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 471.65 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 137419878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).