N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine

C25H30N6 — CID 169196864

IUPACN-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine
SMILESC=C(NCCN(C)C)c1ccc(-c2cnn3c(NCCC4=CC=CC4)ccnc23)cc1
InChIInChI=1S/C25H30N6/c1-19(26-16-17-30(2)3)21-8-10-22(11-9-21)23-18-29-31-24(13-15-28-25(23)31)27-14-12-20-6-4-5-7-20/h4-6,8-11,13,15,18,26-27H,1,7,12,14,16-17H2,2-3H3
InChIKeyFZNKWWXCCQQTPW-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.21
Rot. Bonds10

About N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine

N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 169196864) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID169196864
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC NameN-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine
SMILESC=C(NCCN(C)C)c1ccc(-c2cnn3c(NCCC4=CC=CC4)ccnc23)cc1
InChIInChI=1S/C25H30N6/c1-19(26-16-17-30(2)3)21-8-10-22(11-9-21)23-18-29-31-24(13-15-28-25(23)31)27-14-12-20-6-4-5-7-20/h4-6,8-11,13,15,18,26-27H,1,7,12,14,16-17H2,2-3H3
InChIKeyFZNKWWXCCQQTPW-UHFFFAOYSA-N
XLogP4.21
TPSA57.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
CID 126474527
N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126472157
N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126473476
3-(4-aminophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126473680
3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751853
3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid
CID 126474986
3-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475589
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126474583
N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126472969
N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473631
3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751413

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine (CID 169196864) is N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine is C=C(NCCN(C)C)c1ccc(-c2cnn3c(NCCC4=CC=CC4)ccnc23)cc1.
What is the InChIKey of N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FZNKWWXCCQQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6/c1-19(26-16-17-30(2)3)21-8-10-22(11-9-21)23-18-29-31-24(13-15-28-25(23)31)27-14-12-20-6-4-5-7-20/h4-6,8-11,13,15,18,26-27H,1,7,12,14,16-17H2,2-3H3.
What are the key properties of N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine?
N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 414.56 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 169196864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).