1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine

C19H26N6 — CID 156634783

IUPAC1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NC(C)C)nc(CCc3cccnc3)nc12
InChIInChI=1S/C19H26N6/c1-5-7-15-17-18(25(4)24-15)19(21-13(2)3)23-16(22-17)10-9-14-8-6-11-20-12-14/h6,8,11-13H,5,7,9-10H2,1-4H3,(H,21,22,23)
InChIKeyIQSSZOONPMSEQJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.32
Rot. Bonds7

About 1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine

1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 156634783) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID156634783
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NC(C)C)nc(CCc3cccnc3)nc12
InChIInChI=1S/C19H26N6/c1-5-7-15-17-18(25(4)24-15)19(21-13(2)3)23-16(22-17)10-9-14-8-6-11-20-12-14/h6,8,11-13H,5,7,9-10H2,1-4H3,(H,21,22,23)
InChIKeyIQSSZOONPMSEQJ-UHFFFAOYSA-N
XLogP3.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 156634783) is 1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nn(C)c2c(NC(C)C)nc(CCc3cccnc3)nc12.
What is the InChIKey of 1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is IQSSZOONPMSEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-5-7-15-17-18(25(4)24-15)19(21-13(2)3)23-16(22-17)10-9-14-8-6-11-20-12-14/h6,8,11-13H,5,7,9-10H2,1-4H3,(H,21,22,23).
What are the key properties of 1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 338.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-yl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 156634783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).