N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine

C19H22N6 — CID 156634775

IUPACN-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NC3CC3)nc(/C=C/c3cccnc3)nc12
InChIInChI=1S/C19H22N6/c1-3-5-15-17-18(25(2)24-15)19(21-14-8-9-14)23-16(22-17)10-7-13-6-4-11-20-12-13/h4,6-7,10-12,14H,3,5,8-9H2,1-2H3,(H,21,22,23)/b10-7+
InChIKeyLFDXYRBZHDENJD-JXMROGBWSA-N
MW334.43 g/mol
LogP3.46
Rot. Bonds6

About N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine

N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 156634775) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID156634775
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NC3CC3)nc(/C=C/c3cccnc3)nc12
InChIInChI=1S/C19H22N6/c1-3-5-15-17-18(25(2)24-15)19(21-14-8-9-14)23-16(22-17)10-7-13-6-4-11-20-12-13/h4,6-7,10-12,14H,3,5,8-9H2,1-2H3,(H,21,22,23)/b10-7+
InChIKeyLFDXYRBZHDENJD-JXMROGBWSA-N
XLogP3.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine (CID 156634775) is N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nn(C)c2c(NC3CC3)nc(/C=C/c3cccnc3)nc12.
What is the InChIKey of N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is LFDXYRBZHDENJD-JXMROGBWSA-N. The full InChI is InChI=1S/C19H22N6/c1-3-5-15-17-18(25(2)24-15)19(21-14-8-9-14)23-16(22-17)10-7-13-6-4-11-20-12-13/h4,6-7,10-12,14H,3,5,8-9H2,1-2H3,(H,21,22,23)/b10-7+.
What are the key properties of N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine?
N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 334.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 156634775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).