5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C21H29N5 — CID 143441390

IUPAC5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCC(CCC)c1cc(NCc2cccnc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C21H29N5/c1-5-8-18(9-6-2)19-12-20(23-14-17-10-7-11-22-13-17)26-21(24-19)15(3)16(4)25-26/h7,10-13,18,23H,5-6,8-9,14H2,1-4H3
InChIKeyMYVBXGNOPAVIFV-UHFFFAOYSA-N
MW351.50 g/mol
LogP5.04
Rot. Bonds8

About 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143441390) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143441390
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCC(CCC)c1cc(NCc2cccnc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C21H29N5/c1-5-8-18(9-6-2)19-12-20(23-14-17-10-7-11-22-13-17)26-21(24-19)15(3)16(4)25-26/h7,10-13,18,23H,5-6,8-9,14H2,1-4H3
InChIKeyMYVBXGNOPAVIFV-UHFFFAOYSA-N
XLogP5.04
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090637
3-phenyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4974468
prop-1-ene;2-[3-[3-[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]hexyl]phenyl]propanenitrile
CID 142870818
5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70771078
5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3632429
2,3,5-trimethyl-N-(2-pyridin-3-yloxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70717394
CID 70878905
CID 70878905
6-ethyl-2-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 65418872
7-methyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 43232785
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
ethanol;3-ethyl-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 145499610
CID 89365529
CID 89365529

Frequently Asked Questions

What is the IUPAC name of 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143441390) is 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCCC(CCC)c1cc(NCc2cccnc2)n2nc(C)c(C)c2n1.
What is the InChIKey of 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MYVBXGNOPAVIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-5-8-18(9-6-2)19-12-20(23-14-17-10-7-11-22-13-17)26-21(24-19)15(3)16(4)25-26/h7,10-13,18,23H,5-6,8-9,14H2,1-4H3.
What are the key properties of 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 351.50 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143441390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).