4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine

C65H101F2N13O — CID 157469082

IUPAC4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine
SMILESCC(C)c1cc(C(F)F)ccn1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccncn1.CC(C)c1cnn(C2CCOC2)c1.CC(C)c1cnn(CC2CCN(C)C2)c1.CCc1ccnc(C(C)C)c1.Cc1cc(C(C)C)ncn1
InChIInChI=1S/C12H21N3.C10H16N2O.C10H15N.C9H11F2N.C9H16N2.C8H12N2.C7H10N2/c1-10(2)12-6-13-15(9-12)8-11-4-5-14(3)7-11;1-8(2)9-5-11-12(6-9)10-3-4-13-7-10;1-4-9-5-6-11-10(7-9)8(2)3;1-6(2)8-5-7(9(10)11)3-4-12-8;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-4-7(3)9-5-10-8;1-6(2)7-3-4-8-5-9-7/h6,9-11H,4-5,7-8H2,1-3H3;5-6,8,10H,3-4,7H2,1-2H3;5-8H,4H2,1-3H3;3-6,9H,1-2H3;5-8H,1-4H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyBUUVWRVJWOJSTE-UHFFFAOYSA-N
MW1118.61 g/mol
LogP15.93
Rot. Bonds13

About 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine

4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine (PubChem CID 157469082) has the molecular formula C65H101F2N13O and a molecular weight of 1118.61 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine
PubChem CID157469082
Molecular FormulaC65H101F2N13O
Molecular Weight1118.61 g/mol
Exact Mass1117.82
IUPAC Name4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine
SMILESCC(C)c1cc(C(F)F)ccn1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccncn1.CC(C)c1cnn(C2CCOC2)c1.CC(C)c1cnn(CC2CCN(C)C2)c1.CCc1ccnc(C(C)C)c1.Cc1cc(C(C)C)ncn1
InChIInChI=1S/C12H21N3.C10H16N2O.C10H15N.C9H11F2N.C9H16N2.C8H12N2.C7H10N2/c1-10(2)12-6-13-15(9-12)8-11-4-5-14(3)7-11;1-8(2)9-5-11-12(6-9)10-3-4-13-7-10;1-4-9-5-6-11-10(7-9)8(2)3;1-6(2)8-5-7(9(10)11)3-4-12-8;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-4-7(3)9-5-10-8;1-6(2)7-3-4-8-5-9-7/h6,9-11H,4-5,7-8H2,1-3H3;5-6,8,10H,3-4,7H2,1-2H3;5-8H,4H2,1-3H3;3-6,9H,1-2H3;5-8H,1-4H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyBUUVWRVJWOJSTE-UHFFFAOYSA-N
XLogP15.93
TPSA143.27 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001118.61
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine with MolForge

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Related Compounds

(3R)-3-methyl-4-[7-[3-methyl-1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 164032805
4-[1-[2-(1-Methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
CID 155552816
4-[5-[3-(5-Fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921856
WO2024186584, Example 50
CID 176087051
WO2024186584, Example 37
CID 176087068
WO2024186584, Example 47
CID 176087078
4-(5-(3-(5,5-difluoropiperidin-3-yl)-1H-pyrazol-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 177778936
WO2024186584, Example 77
CID 178066061
WO2024186584, Example 90
CID 178066062
2-[3-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]cyclopentyl]-6-[1-(oxetan-3-yl)piperidin-3-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 123924452
1-[6-[[1-[5-[[7-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3,5-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970495
4-[6-[2-(Difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 155376117

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine?
The IUPAC name of 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine (CID 157469082) is 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine?
The canonical SMILES for 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine is CC(C)c1cc(C(F)F)ccn1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccncn1.CC(C)c1cnn(C2CCOC2)c1.CC(C)c1cnn(CC2CCN(C)C2)c1.CCc1ccnc(C(C)C)c1.Cc1cc(C(C)C)ncn1.
What is the InChIKey of 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine?
The InChIKey is BUUVWRVJWOJSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.C10H16N2O.C10H15N.C9H11F2N.C9H16N2.C8H12N2.C7H10N2/c1-10(2)12-6-13-15(9-12)8-11-4-5-14(3)7-11;1-8(2)9-5-11-12(6-9)10-3-4-13-7-10;1-4-9-5-6-11-10(7-9)8(2)3;1-6(2)8-5-7(9(10)11)3-4-12-8;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-4-7(3)9-5-10-8;1-6(2)7-3-4-8-5-9-7/h6,9-11H,4-5,7-8H2,1-3H3;5-6,8,10H,3-4,7H2,1-2H3;5-8H,4H2,1-3H3;3-6,9H,1-2H3;5-8H,1-4H3;4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine?
4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine has a molecular weight of 1118.61 g/mol, XLogP of 15.93, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine is sourced from PubChem (CID 157469082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).