4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

C23H30N6O2 — CID 157045099

IUPAC4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1cc2c(OCC3CC3(C)C)nc(N3CCOC(c4cnn(C)c4)C3)nc2nc1C
InChIInChI=1S/C23H30N6O2/c1-14-8-18-20(25-15(14)2)26-22(27-21(18)31-13-17-9-23(17,3)4)29-6-7-30-19(12-29)16-10-24-28(5)11-16/h8,10-11,17,19H,6-7,9,12-13H2,1-5H3
InChIKeyUCUSVAMQFHAQAZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.38
Rot. Bonds5

About 4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157045099) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157045099
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1cc2c(OCC3CC3(C)C)nc(N3CCOC(c4cnn(C)c4)C3)nc2nc1C
InChIInChI=1S/C23H30N6O2/c1-14-8-18-20(25-15(14)2)26-22(27-21(18)31-13-17-9-23(17,3)4)29-6-7-30-19(12-29)16-10-24-28(5)11-16/h8,10-11,17,19H,6-7,9,12-13H2,1-5H3
InChIKeyUCUSVAMQFHAQAZ-UHFFFAOYSA-N
XLogP3.38
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 157045099) is 4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1cc2c(OCC3CC3(C)C)nc(N3CCOC(c4cnn(C)c4)C3)nc2nc1C.
What is the InChIKey of 4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is UCUSVAMQFHAQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-14-8-18-20(25-15(14)2)26-22(27-21(18)31-13-17-9-23(17,3)4)29-6-7-30-19(12-29)16-10-24-28(5)11-16/h8,10-11,17,19H,6-7,9,12-13H2,1-5H3.
What are the key properties of 4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 422.53 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,2-dimethylcyclopropyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157045099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).