6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine

C14H19ClN6 — CID 79927344

IUPAC6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Cl)nc(CN3CCN4CCCC4C3)nc21
InChIInChI=1S/C14H19ClN6/c1-19-14-11(7-16-19)13(15)17-12(18-14)9-20-5-6-21-4-2-3-10(21)8-20/h7,10H,2-6,8-9H2,1H3
InChIKeyXWYRBZGCNZXTFL-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.30
Rot. Bonds2

About 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine

6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 79927344) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID79927344
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Cl)nc(CN3CCN4CCCC4C3)nc21
InChIInChI=1S/C14H19ClN6/c1-19-14-11(7-16-19)13(15)17-12(18-14)9-20-5-6-21-4-2-3-10(21)8-20/h7,10H,2-6,8-9H2,1H3
InChIKeyXWYRBZGCNZXTFL-UHFFFAOYSA-N
XLogP1.30
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63220432
4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine
CID 63220594
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-1,4-oxazepane
CID 63220480
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine
CID 63220328
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine
CID 63220281
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine
CID 63220595
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one
CID 64679886
8-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763435
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 80663533
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol
CID 114681779
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol
CID 63221261
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 63632297

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine (CID 79927344) is 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(Cl)nc(CN3CCN4CCCC4C3)nc21.
What is the InChIKey of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is XWYRBZGCNZXTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-19-14-11(7-16-19)13(15)17-12(18-14)9-20-5-6-21-4-2-3-10(21)8-20/h7,10H,2-6,8-9H2,1H3.
What are the key properties of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine?
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 306.80 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 79927344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).