3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol

C22H25N7O3 — CID 73386787

IUPAC3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol
SMILESCOCC(CO)Nc1nccc2cnc(Nc3ccc(-c4cnn(C)c4)cc3OC)nc12
InChIInChI=1S/C22H25N7O3/c1-29-11-16(10-25-29)14-4-5-18(19(8-14)32-3)27-22-24-9-15-6-7-23-21(20(15)28-22)26-17(12-30)13-31-2/h4-11,17,30H,12-13H2,1-3H3,(H,23,26)(H,24,27,28)
InChIKeyLUODMVWKNCJPGY-UHFFFAOYSA-N
MW435.49 g/mol
LogP2.60
Rot. Bonds9

About 3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol

3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol (PubChem CID 73386787) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol
PubChem CID73386787
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol
SMILESCOCC(CO)Nc1nccc2cnc(Nc3ccc(-c4cnn(C)c4)cc3OC)nc12
InChIInChI=1S/C22H25N7O3/c1-29-11-16(10-25-29)14-4-5-18(19(8-14)32-3)27-22-24-9-15-6-7-23-21(20(15)28-22)26-17(12-30)13-31-2/h4-11,17,30H,12-13H2,1-3H3,(H,23,26)(H,24,27,28)
InChIKeyLUODMVWKNCJPGY-UHFFFAOYSA-N
XLogP2.60
TPSA119.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol (CID 73386787) is 3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol is COCC(CO)Nc1nccc2cnc(Nc3ccc(-c4cnn(C)c4)cc3OC)nc12.
What is the InChIKey of 3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol?
The InChIKey is LUODMVWKNCJPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-29-11-16(10-25-29)14-4-5-18(19(8-14)32-3)27-22-24-9-15-6-7-23-21(20(15)28-22)26-17(12-30)13-31-2/h4-11,17,30H,12-13H2,1-3H3,(H,23,26)(H,24,27,28).
What are the key properties of 3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol?
3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol has a molecular weight of 435.49 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propan-1-ol is sourced from PubChem (CID 73386787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).