5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide

C20H27N7O2 — CID 45485008

IUPAC5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(C(N)=O)nc1C
InChIInChI=1S/C20H27N7O2/c1-6-9-26(10-11-29-5)19-17-13(3)25-27(20(17)24-14(4)23-19)16-8-7-15(18(21)28)22-12(16)2/h7-8H,6,9-11H2,1-5H3,(H2,21,28)
InChIKeyKMLRLORZOCMNDO-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.10
Rot. Bonds8

About 5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide

5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide (PubChem CID 45485008) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide
PubChem CID45485008
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(C(N)=O)nc1C
InChIInChI=1S/C20H27N7O2/c1-6-9-26(10-11-29-5)19-17-13(3)25-27(20(17)24-14(4)23-19)16-8-7-15(18(21)28)22-12(16)2/h7-8H,6,9-11H2,1-5H3,(H2,21,28)
InChIKeyKMLRLORZOCMNDO-UHFFFAOYSA-N
XLogP2.10
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide (CID 45485008) is 5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide is CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(C(N)=O)nc1C.
What is the InChIKey of 5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is KMLRLORZOCMNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-6-9-26(10-11-29-5)19-17-13(3)25-27(20(17)24-14(4)23-19)16-8-7-15(18(21)28)22-12(16)2/h7-8H,6,9-11H2,1-5H3,(H2,21,28).
What are the key properties of 5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide?
5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-methoxyethyl(propyl)amino]-3,6-dimethylpyrazolo[5,4-d]pyrimidin-1-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 45485008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).