3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine

C18H27N9O — CID 58935460

IUPAC3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nn(CCOC)c2c(Nc3cc(C)[nH]n3)nc(N3CCNCC3)nc12
InChIInChI=1S/C18H27N9O/c1-4-13-15-16(27(25-13)9-10-28-3)17(20-14-11-12(2)23-24-14)22-18(21-15)26-7-5-19-6-8-26/h11,19H,4-10H2,1-3H3,(H2,20,21,22,23,24)
InChIKeySHSYQLRAQUBDQZ-UHFFFAOYSA-N
MW385.48 g/mol
LogP1.22
Rot. Bonds7

About 3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine

3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 58935460) has the molecular formula C18H27N9O and a molecular weight of 385.48 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID58935460
Molecular FormulaC18H27N9O
Molecular Weight385.48 g/mol
Exact Mass385.23
IUPAC Name3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nn(CCOC)c2c(Nc3cc(C)[nH]n3)nc(N3CCNCC3)nc12
InChIInChI=1S/C18H27N9O/c1-4-13-15-16(27(25-13)9-10-28-3)17(20-14-11-12(2)23-24-14)22-18(21-15)26-7-5-19-6-8-26/h11,19H,4-10H2,1-3H3,(H2,20,21,22,23,24)
InChIKeySHSYQLRAQUBDQZ-UHFFFAOYSA-N
XLogP1.22
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 70323708
1-(2-ethoxyethyl)-3-(methoxymethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 58935609
5-(1,4-diazepan-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-fluorophenyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 11510177
1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46888542
3-[2-(cyclopropylmethoxy)ethyl]-1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 70323709
ethane;1-(2-ethoxyethyl)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 143455026
1-(2-ethoxyethyl)-3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 11385153
5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 69368689
5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935651
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
4-[3-ethyl-7-(pyrimidin-4-ylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-5-yl]piperazin-2-one
CID 46887034
1-(2-ethoxyethyl)-3-(ethoxymethyl)-5-(3-methylpiperazin-1-yl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine;dihydrochloride
CID 68889438

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 58935460) is 3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCc1nn(CCOC)c2c(Nc3cc(C)[nH]n3)nc(N3CCNCC3)nc12.
What is the InChIKey of 3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is SHSYQLRAQUBDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N9O/c1-4-13-15-16(27(25-13)9-10-28-3)17(20-14-11-12(2)23-24-14)22-18(21-15)26-7-5-19-6-8-26/h11,19H,4-10H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 385.48 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 58935460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).