[2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C24H29N5O4S — CID 71250951

IUPAC[2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(NC4CCS(=O)CC4)nc3n2)cc1CO
InChIInChI=1S/C24H29N5O4S/c1-32-21-5-2-16(14-17(21)15-30)20-4-3-19-22(26-20)27-24(25-18-6-12-34(31)13-7-18)28-23(19)29-8-10-33-11-9-29/h2-5,14,18,30H,6-13,15H2,1H3,(H,25,26,27,28)
InChIKeyHAYNZTUEWXRRHR-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.35
Rot. Bonds6

About [2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 71250951) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is [2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID71250951
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name[2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(NC4CCS(=O)CC4)nc3n2)cc1CO
InChIInChI=1S/C24H29N5O4S/c1-32-21-5-2-16(14-17(21)15-30)20-4-3-19-22(26-20)27-24(25-18-6-12-34(31)13-7-18)28-23(19)29-8-10-33-11-9-29/h2-5,14,18,30H,6-13,15H2,1H3,(H,25,26,27,28)
InChIKeyHAYNZTUEWXRRHR-UHFFFAOYSA-N
XLogP2.35
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 71250951) is [2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is COc1ccc(-c2ccc3c(N4CCOCC4)nc(NC4CCS(=O)CC4)nc3n2)cc1CO.
What is the InChIKey of [2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is HAYNZTUEWXRRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-32-21-5-2-16(14-17(21)15-30)20-4-3-19-22(26-20)27-24(25-18-6-12-34(31)13-7-18)28-23(19)29-8-10-33-11-9-29/h2-5,14,18,30H,6-13,15H2,1H3,(H,25,26,27,28).
What are the key properties of [2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 483.59 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 71250951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).