4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine

C23H29N5O2 — CID 71085899

IUPAC4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(CCC(C)C)c2)nc1
InChIInChI=1S/C23H29N5O2/c1-15(2)7-8-28-13-18(10-26-28)21-12-24-16(3)27-23(21)30-14-17-9-20(17)22-6-5-19(29-4)11-25-22/h5-6,10-13,15,17,20H,7-9,14H2,1-4H3/t17-,20+/m1/s1
InChIKeyUCZOKVFJTVRRRC-XLIONFOSSA-N
MW407.52 g/mol
LogP4.28
Rot. Bonds9

About 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine

4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine (PubChem CID 71085899) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine
PubChem CID71085899
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(CCC(C)C)c2)nc1
InChIInChI=1S/C23H29N5O2/c1-15(2)7-8-28-13-18(10-26-28)21-12-24-16(3)27-23(21)30-14-17-9-20(17)22-6-5-19(29-4)11-25-22/h5-6,10-13,15,17,20H,7-9,14H2,1-4H3/t17-,20+/m1/s1
InChIKeyUCZOKVFJTVRRRC-XLIONFOSSA-N
XLogP4.28
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine?
The IUPAC name of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine (CID 71085899) is 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine?
The canonical SMILES for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(CCC(C)C)c2)nc1.
What is the InChIKey of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine?
The InChIKey is UCZOKVFJTVRRRC-XLIONFOSSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(2)7-8-28-13-18(10-26-28)21-12-24-16(3)27-23(21)30-14-17-9-20(17)22-6-5-19(29-4)11-25-22/h5-6,10-13,15,17,20H,7-9,14H2,1-4H3/t17-,20+/m1/s1.
What are the key properties of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine?
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine has a molecular weight of 407.52 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 71085899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).