3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

C27H34N6O — CID 11351594

IUPAC3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(Cc1cccc(OC)c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C27H34N6O/c1-8-12-32(17-21-10-9-11-22(15-21)34-7)25-14-19(3)29-27-26(20(4)30-33(25)27)23-16-28-24(31(5)6)13-18(23)2/h9-11,13-16H,8,12,17H2,1-7H3
InChIKeyIIQOPKAHPHUWDS-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.21
Rot. Bonds8

About 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11351594) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11351594
Molecular FormulaC27H34N6O
Molecular Weight458.61 g/mol
Exact Mass458.28
IUPAC Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(Cc1cccc(OC)c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C27H34N6O/c1-8-12-32(17-21-10-9-11-22(15-21)34-7)25-14-19(3)29-27-26(20(4)30-33(25)27)23-16-28-24(31(5)6)13-18(23)2/h9-11,13-16H,8,12,17H2,1-7H3
InChIKeyIIQOPKAHPHUWDS-UHFFFAOYSA-N
XLogP5.21
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate
CID 59777431
10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22178105
4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine
CID 156749253
N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 70842639
3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11393653
5-(3-heptan-4-yl-7,11-dimethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-yl)-N,N,4-trimethylpyridin-2-amine;hydrochloride
CID 22249637
N-(1,3-benzodioxol-5-ylmethyl)-10-(2-chloro-4-methoxyphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22177759
5-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 167465337
N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 42618218
4-[(dimethylamino)methyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 167465546
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690444
3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 59028544

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11351594) is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCN(Cc1cccc(OC)c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12.
What is the InChIKey of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IIQOPKAHPHUWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-8-12-32(17-21-10-9-11-22(15-21)34-7)25-14-19(3)29-27-26(20(4)30-33(25)27)23-16-28-24(31(5)6)13-18(23)2/h9-11,13-16H,8,12,17H2,1-7H3.
What are the key properties of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 458.61 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11351594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).