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

C24H27N7O2 — CID 90000716

IUPACN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCC(OC)CC3)c2n1
InChIInChI=1S/C24H27N7O2/c1-30-15-18(14-27-30)16-4-5-20(21(12-16)33-3)28-24-26-13-17-6-9-25-23(22(17)29-24)31-10-7-19(32-2)8-11-31/h4-6,9,12-15,19H,7-8,10-11H2,1-3H3,(H,26,28,29)
InChIKeyVOYIIJANHCRGPW-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.79
Rot. Bonds6

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

N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 90000716) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID90000716
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC NameN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCC(OC)CC3)c2n1
InChIInChI=1S/C24H27N7O2/c1-30-15-18(14-27-30)16-4-5-20(21(12-16)33-3)28-24-26-13-17-6-9-25-23(22(17)29-24)31-10-7-19(32-2)8-11-31/h4-6,9,12-15,19H,7-8,10-11H2,1-3H3,(H,26,28,29)
InChIKeyVOYIIJANHCRGPW-UHFFFAOYSA-N
XLogP3.79
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 90000716) is N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine is COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCC(OC)CC3)c2n1.
What is the InChIKey of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is VOYIIJANHCRGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-30-15-18(14-27-30)16-4-5-20(21(12-16)33-3)28-24-26-13-17-6-9-25-23(22(17)29-24)31-10-7-19(32-2)8-11-31/h4-6,9,12-15,19H,7-8,10-11H2,1-3H3,(H,26,28,29).
What are the key properties of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine?
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 445.53 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 90000716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).