4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C21H24N8 — CID 162714989

IUPAC4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESCC[C@H]1CN(c2ccc(C#N)n3nccc23)Cc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C21H24N8/c1-2-15-13-28(18-4-3-17(11-22)29-19(18)5-6-25-29)14-16-12-24-21(26-20(15)16)27-9-7-23-8-10-27/h3-6,12,15,23H,2,7-10,13-14H2,1H3/t15-/m0/s1
InChIKeyDNLRGOLFPDJUHI-HNNXBMFYSA-N
MW388.48 g/mol
LogP1.92
Rot. Bonds3

About 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 162714989) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID162714989
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESCC[C@H]1CN(c2ccc(C#N)n3nccc23)Cc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C21H24N8/c1-2-15-13-28(18-4-3-17(11-22)29-19(18)5-6-25-29)14-16-12-24-21(26-20(15)16)27-9-7-23-8-10-27/h3-6,12,15,23H,2,7-10,13-14H2,1H3/t15-/m0/s1
InChIKeyDNLRGOLFPDJUHI-HNNXBMFYSA-N
XLogP1.92
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile with MolForge

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Related Compounds

7-ethyl-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 103278342
4-[(2R,6S)-2-methyl-6-[(5-piperazin-1-yl-1,3-dihydroisoindol-2-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146442918
4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 155206125
4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146444031
4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146443983
4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146443997
4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146443996
4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146271665
4-[(2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146444070
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane
CID 155708037
4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 163463321

Frequently Asked Questions

What is the IUPAC name of 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 162714989) is 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is CC[C@H]1CN(c2ccc(C#N)n3nccc23)Cc2cnc(N3CCNCC3)nc21.
What is the InChIKey of 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is DNLRGOLFPDJUHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N8/c1-2-15-13-28(18-4-3-17(11-22)29-19(18)5-6-25-29)14-16-12-24-21(26-20(15)16)27-9-7-23-8-10-27/h3-6,12,15,23H,2,7-10,13-14H2,1H3/t15-/m0/s1.
What are the key properties of 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 388.48 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8S)-8-ethyl-2-piperazin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 162714989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).