6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H29N5O3 — CID 60510228

IUPAC6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(C(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c2ccccc2)cc1
InChIInChI=1S/C27H29N5O3/c1-4-35-21-12-10-20(11-13-21)25(19-8-6-5-7-9-19)31-24(33)15-14-22-17(2)30-27-23(26(28)34)16-29-32(27)18(22)3/h5-13,16,25H,4,14-15H2,1-3H3,(H2,28,34)(H,31,33)
InChIKeyNEDAXXJYTOTEKF-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.68
Rot. Bonds9

About 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 60510228) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID60510228
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(C(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c2ccccc2)cc1
InChIInChI=1S/C27H29N5O3/c1-4-35-21-12-10-20(11-13-21)25(19-8-6-5-7-9-19)31-24(33)15-14-22-17(2)30-27-23(26(28)34)16-29-32(27)18(22)3/h5-13,16,25H,4,14-15H2,1-3H3,(H2,28,34)(H,31,33)
InChIKeyNEDAXXJYTOTEKF-UHFFFAOYSA-N
XLogP3.68
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46433322
5,7-dimethyl-6-[3-oxo-3-[1-(3-propan-2-yloxyphenyl)ethylamino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55849152
6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
6-[3-(2-iodoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737352
6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 51725008
6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 48504059
6-[3-(3-chloro-2,6-diethylanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737444
methyl 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-2-phenylacetate
CID 60609725
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 51184872
6-[3-(2,6-difluoroanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52621976
6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55831189
5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166434882

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 60510228) is 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(C(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c2ccccc2)cc1.
What is the InChIKey of 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NEDAXXJYTOTEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-4-35-21-12-10-20(11-13-21)25(19-8-6-5-7-9-19)31-24(33)15-14-22-17(2)30-27-23(26(28)34)16-29-32(27)18(22)3/h5-13,16,25H,4,14-15H2,1-3H3,(H2,28,34)(H,31,33).
What are the key properties of 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60510228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).