1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione

C24H32F2N6O2 — CID 165128398

IUPAC1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione
SMILESC[C@H]1CN(Cc2ccn3ncc(N4CCC(=O)N(C)C4=O)c3c2)CCN1C1CCC(F)(F)CC1
InChIInChI=1S/C24H32F2N6O2/c1-17-15-29(11-12-30(17)19-3-7-24(25,26)8-4-19)16-18-5-10-32-20(13-18)21(14-27-32)31-9-6-22(33)28(2)23(31)34/h5,10,13-14,17,19H,3-4,6-9,11-12,15-16H2,1-2H3/t17-/m0/s1
InChIKeyMYAZOONBZCHHGF-KRWDZBQOSA-N
MW474.56 g/mol
LogP3.21
Rot. Bonds4

About 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione

1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione (PubChem CID 165128398) has the molecular formula C24H32F2N6O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione
PubChem CID165128398
Molecular FormulaC24H32F2N6O2
Molecular Weight474.56 g/mol
Exact Mass474.26
IUPAC Name1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione
SMILESC[C@H]1CN(Cc2ccn3ncc(N4CCC(=O)N(C)C4=O)c3c2)CCN1C1CCC(F)(F)CC1
InChIInChI=1S/C24H32F2N6O2/c1-17-15-29(11-12-30(17)19-3-7-24(25,26)8-4-19)16-18-5-10-32-20(13-18)21(14-27-32)31-9-6-22(33)28(2)23(31)34/h5,10,13-14,17,19H,3-4,6-9,11-12,15-16H2,1-2H3/t17-/m0/s1
InChIKeyMYAZOONBZCHHGF-KRWDZBQOSA-N
XLogP3.21
TPSA64.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione 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 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione (CID 165128398) is 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione is C[C@H]1CN(Cc2ccn3ncc(N4CCC(=O)N(C)C4=O)c3c2)CCN1C1CCC(F)(F)CC1.
What is the InChIKey of 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione?
The InChIKey is MYAZOONBZCHHGF-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H32F2N6O2/c1-17-15-29(11-12-30(17)19-3-7-24(25,26)8-4-19)16-18-5-10-32-20(13-18)21(14-27-32)31-9-6-22(33)28(2)23(31)34/h5,10,13-14,17,19H,3-4,6-9,11-12,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione?
1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione has a molecular weight of 474.56 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(3S)-4-(4,4-difluorocyclohexyl)-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 165128398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).