2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline

C24H25N5O — CID 71061389

IUPAC2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
SMILESCc1ncc(-c2c(C)nn(C)c2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1
InChIInChI=1S/C24H25N5O/c1-14-23(15(2)29(4)28-14)20-12-25-16(3)26-24(20)30-13-18-11-19(18)22-10-9-17-7-5-6-8-21(17)27-22/h5-10,12,18-19H,11,13H2,1-4H3/t18-,19+/m1/s1
InChIKeyRFAJNLQZNSOJPX-MOPGFXCFSA-N
MW399.50 g/mol
LogP4.53
Rot. Bonds5

About 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline

2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline (PubChem CID 71061389) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline.

Molecular Properties

Compound Name2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
PubChem CID71061389
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
SMILESCc1ncc(-c2c(C)nn(C)c2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1
InChIInChI=1S/C24H25N5O/c1-14-23(15(2)29(4)28-14)20-12-25-16(3)26-24(20)30-13-18-11-19(18)22-10-9-17-7-5-6-8-21(17)27-22/h5-10,12,18-19H,11,13H2,1-4H3/t18-,19+/m1/s1
InChIKeyRFAJNLQZNSOJPX-MOPGFXCFSA-N
XLogP4.53
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline with MolForge

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Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
N-[(1-Methyl-1h-Pyrazol-4-Yl)methyl]-5-{[(1s,2s)-2-(Pyridin-2-Yl)cyclopropyl]methoxy}pyrazolo[1,5-A]pyrimidin-7-Amine
CID 76903477
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
1-{4-Amino-3-[2-(Cyclopropyloxy)quinolin-6-Yl]-1h-Pyrazolo[3,4-D]pyrimidin-1-Yl}-2-Methylpropan-2-Ol
CID 77003908
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71272262
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272653
3-(2-Ethoxy-6-quinolyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56963909
US10954240, Example 17
CID 118930219
US10307425, Example 18
CID 122442340
US10307425, Example 5
CID 122442363
3-(2-Cyclopropyloxyquinolin-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 122442379

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
The IUPAC name of 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline (CID 71061389) is 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline.
What is the SMILES notation for 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
The canonical SMILES for 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline is Cc1ncc(-c2c(C)nn(C)c2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
The InChIKey is RFAJNLQZNSOJPX-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H25N5O/c1-14-23(15(2)29(4)28-14)20-12-25-16(3)26-24(20)30-13-18-11-19(18)22-10-9-17-7-5-6-8-21(17)27-22/h5-10,12,18-19H,11,13H2,1-4H3/t18-,19+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline has a molecular weight of 399.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline is sourced from PubChem (CID 71061389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).