2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine

C23H25N7O2 — CID 73387063

IUPAC2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NC3CCOCC3)c2n1
InChIInChI=1S/C23H25N7O2/c1-30-14-17(13-26-30)15-3-4-19(20(11-15)31-2)28-23-25-12-16-5-8-24-22(21(16)29-23)27-18-6-9-32-10-7-18/h3-5,8,11-14,18H,6-7,9-10H2,1-2H3,(H,24,27)(H,25,28,29)
InChIKeyMJPOKEITVYMJIC-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.77
Rot. Bonds6

About 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine

2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 73387063) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID73387063
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NC3CCOCC3)c2n1
InChIInChI=1S/C23H25N7O2/c1-30-14-17(13-26-30)15-3-4-19(20(11-15)31-2)28-23-25-12-16-5-8-24-22(21(16)29-23)27-18-6-9-32-10-7-18/h3-5,8,11-14,18H,6-7,9-10H2,1-2H3,(H,24,27)(H,25,28,29)
InChIKeyMJPOKEITVYMJIC-UHFFFAOYSA-N
XLogP3.77
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine (CID 73387063) is 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine is COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NC3CCOCC3)c2n1.
What is the InChIKey of 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is MJPOKEITVYMJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-30-14-17(13-26-30)15-3-4-19(20(11-15)31-2)28-23-25-12-16-5-8-24-22(21(16)29-23)27-18-6-9-32-10-7-18/h3-5,8,11-14,18H,6-7,9-10H2,1-2H3,(H,24,27)(H,25,28,29).
What are the key properties of 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 431.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 73387063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).