6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H29N7O2 — CID 55847907

IUPAC6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)cn1
InChIInChI=1S/C22H29N7O2/c1-5-28(6-2)19-9-7-16(11-24-19)12-25-20(30)10-8-17-14(3)27-22-18(21(23)31)13-26-29(22)15(17)4/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H2,23,31)(H,25,30)
InChIKeyRUYMMDIZYXKPQD-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.94
Rot. Bonds9

About 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55847907) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55847907
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)cn1
InChIInChI=1S/C22H29N7O2/c1-5-28(6-2)19-9-7-16(11-24-19)12-25-20(30)10-8-17-14(3)27-22-18(21(23)31)13-26-29(22)15(17)4/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H2,23,31)(H,25,30)
InChIKeyRUYMMDIZYXKPQD-UHFFFAOYSA-N
XLogP1.94
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 48504059
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 55620860
5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47054803
6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736922
6-[3-(2,6-difluoroanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52621976
6-[3-(2-iodoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737352
5,7-dimethyl-6-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56797134
5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166434882
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 47057541
6-[3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55833531
6-[3-(3-chloro-2,6-diethylanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737444

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55847907) is 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)cn1.
What is the InChIKey of 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RUYMMDIZYXKPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-5-28(6-2)19-9-7-16(11-24-19)12-25-20(30)10-8-17-14(3)27-22-18(21(23)31)13-26-29(22)15(17)4/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H2,23,31)(H,25,30).
What are the key properties of 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55847907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).