[4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol

C24H29N3O4 — CID 161466764

IUPAC[4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol
SMILESCOC[C@H](C)Cc1ncc2c(OC3CCOCC3)ncc(-c3ccc(CO)cc3)c2n1
InChIInChI=1S/C24H29N3O4/c1-16(15-29-2)11-22-25-13-21-23(27-22)20(18-5-3-17(14-28)4-6-18)12-26-24(21)31-19-7-9-30-10-8-19/h3-6,12-13,16,19,28H,7-11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyWCNQQRMKGWZMKH-MRXNPFEDSA-N
MW423.51 g/mol
LogP3.57
Rot. Bonds8

About [4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol

[4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol (PubChem CID 161466764) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is [4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol
PubChem CID161466764
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name[4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol
SMILESCOC[C@H](C)Cc1ncc2c(OC3CCOCC3)ncc(-c3ccc(CO)cc3)c2n1
InChIInChI=1S/C24H29N3O4/c1-16(15-29-2)11-22-25-13-21-23(27-22)20(18-5-3-17(14-28)4-6-18)12-26-24(21)31-19-7-9-30-10-8-19/h3-6,12-13,16,19,28H,7-11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyWCNQQRMKGWZMKH-MRXNPFEDSA-N
XLogP3.57
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol?
The IUPAC name of [4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol (CID 161466764) is [4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol?
The canonical SMILES for [4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol is COC[C@H](C)Cc1ncc2c(OC3CCOCC3)ncc(-c3ccc(CO)cc3)c2n1.
What is the InChIKey of [4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol?
The InChIKey is WCNQQRMKGWZMKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16(15-29-2)11-22-25-13-21-23(27-22)20(18-5-3-17(14-28)4-6-18)12-26-24(21)31-19-7-9-30-10-8-19/h3-6,12-13,16,19,28H,7-11,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of [4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol?
[4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol has a molecular weight of 423.51 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]phenyl]methanol is sourced from PubChem (CID 161466764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).