8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine

C22H22N6O2 — CID 73386776

IUPAC8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(OCC3CC3)c2n1
InChIInChI=1S/C22H22N6O2/c1-28-12-17(11-25-28)15-5-6-18(19(9-15)29-2)26-22-24-10-16-7-8-23-21(20(16)27-22)30-13-14-3-4-14/h5-12,14H,3-4,13H2,1-2H3,(H,24,26,27)
InChIKeyBWHUMVAWMHVYPY-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.97
Rot. Bonds7

About 8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine

8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 73386776) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine
PubChem CID73386776
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(OCC3CC3)c2n1
InChIInChI=1S/C22H22N6O2/c1-28-12-17(11-25-28)15-5-6-18(19(9-15)29-2)26-22-24-10-16-7-8-23-21(20(16)27-22)30-13-14-3-4-14/h5-12,14H,3-4,13H2,1-2H3,(H,24,26,27)
InChIKeyBWHUMVAWMHVYPY-UHFFFAOYSA-N
XLogP3.97
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine (CID 73386776) is 8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine is COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(OCC3CC3)c2n1.
What is the InChIKey of 8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is BWHUMVAWMHVYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-28-12-17(11-25-28)15-5-6-18(19(9-15)29-2)26-22-24-10-16-7-8-23-21(20(16)27-22)30-13-14-3-4-14/h5-12,14H,3-4,13H2,1-2H3,(H,24,26,27).
What are the key properties of 8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 402.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethoxy)-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 73386776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).