(5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone

C24H26FN5O — CID 146480709

IUPAC(5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
SMILESCc1cc(F)cc(-c2c3c(nn2C)[C@H]2CC[C@@H](C3)N2C(=O)c2cnn(C)c2C2CC2)c1
InChIInChI=1S/C24H26FN5O/c1-13-8-15(10-16(25)9-13)23-18-11-17-6-7-20(21(18)27-29(23)3)30(17)24(31)19-12-26-28(2)22(19)14-4-5-14/h8-10,12,14,17,20H,4-7,11H2,1-3H3/t17-,20+/m0/s1
InChIKeyCVXVQTWSHBGFNU-FXAWDEMLSA-N
MW419.50 g/mol
LogP4.05
Rot. Bonds3

About (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone

(5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone (PubChem CID 146480709) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
PubChem CID146480709
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
SMILESCc1cc(F)cc(-c2c3c(nn2C)[C@H]2CC[C@@H](C3)N2C(=O)c2cnn(C)c2C2CC2)c1
InChIInChI=1S/C24H26FN5O/c1-13-8-15(10-16(25)9-13)23-18-11-17-6-7-20(21(18)27-29(23)3)30(17)24(31)19-12-26-28(2)22(19)14-4-5-14/h8-10,12,14,17,20H,4-7,11H2,1-3H3/t17-,20+/m0/s1
InChIKeyCVXVQTWSHBGFNU-FXAWDEMLSA-N
XLogP4.05
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone with MolForge

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Related Compounds

[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 57398389
US11597728, Example 80
CID 146454812
US11597728, Example 79
CID 146454896
US11597728, Example 82
CID 146454918
US11597728, Example 81
CID 146454973
US11597728, Example 83
CID 146455050
US11597728, Example 327
CID 146480298
US11597728, Example 395
CID 146480337
US11597728, Example 396
CID 146480338
US11597728, Example 328
CID 146480477
US11597728, Example 398
CID 146480509
US11597728, Example 423
CID 146480583

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone (CID 146480709) is (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone is Cc1cc(F)cc(-c2c3c(nn2C)[C@H]2CC[C@@H](C3)N2C(=O)c2cnn(C)c2C2CC2)c1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
The InChIKey is CVXVQTWSHBGFNU-FXAWDEMLSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-13-8-15(10-16(25)9-13)23-18-11-17-6-7-20(21(18)27-29(23)3)30(17)24(31)19-12-26-28(2)22(19)14-4-5-14/h8-10,12,14,17,20H,4-7,11H2,1-3H3/t17-,20+/m0/s1.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone has a molecular weight of 419.50 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-4-yl)-[(1R,8S)-5-(3-fluoro-5-methylphenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone is sourced from PubChem (CID 146480709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).