5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione

C22H30N6O2 — CID 165128584

IUPAC5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione
SMILESCc1cn(-c2cnn3ccc(CN4CCN(CC(C)C)[C@@H](C)C4)cc23)c(=O)[nH]c1=O
InChIInChI=1S/C22H30N6O2/c1-15(2)11-26-8-7-25(13-17(26)4)14-18-5-6-28-19(9-18)20(10-23-28)27-12-16(3)21(29)24-22(27)30/h5-6,9-10,12,15,17H,7-8,11,13-14H2,1-4H3,(H,24,29,30)/t17-/m0/s1
InChIKeyWVQLOIOOCVPWNL-KRWDZBQOSA-N
MW410.52 g/mol
LogP1.64
Rot. Bonds5

About 5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione

5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione (PubChem CID 165128584) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione
PubChem CID165128584
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione
SMILESCc1cn(-c2cnn3ccc(CN4CCN(CC(C)C)[C@@H](C)C4)cc23)c(=O)[nH]c1=O
InChIInChI=1S/C22H30N6O2/c1-15(2)11-26-8-7-25(13-17(26)4)14-18-5-6-28-19(9-18)20(10-23-28)27-12-16(3)21(29)24-22(27)30/h5-6,9-10,12,15,17H,7-8,11,13-14H2,1-4H3,(H,24,29,30)/t17-/m0/s1
InChIKeyWVQLOIOOCVPWNL-KRWDZBQOSA-N
XLogP1.64
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione (CID 165128584) is 5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione is Cc1cn(-c2cnn3ccc(CN4CCN(CC(C)C)[C@@H](C)C4)cc23)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione?
The InChIKey is WVQLOIOOCVPWNL-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-15(2)11-26-8-7-25(13-17(26)4)14-18-5-6-28-19(9-18)20(10-23-28)27-12-16(3)21(29)24-22(27)30/h5-6,9-10,12,15,17H,7-8,11,13-14H2,1-4H3,(H,24,29,30)/t17-/m0/s1.
What are the key properties of 5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione?
5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione has a molecular weight of 410.52 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[5-[[(3S)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 165128584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).