5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27N7O3 — CID 47054803

IUPAC5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H27N7O3/c1-14-17(15(2)29-22(27-14)18(13-26-29)21(23)31)3-4-20(30)25-12-16-5-6-24-19(11-16)28-7-9-32-10-8-28/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H2,23,31)(H,25,30)
InChIKeyXIBYMTHNFHBAHI-UHFFFAOYSA-N
MW437.50 g/mol
LogP0.93
Rot. Bonds7

About 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 47054803) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID47054803
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H27N7O3/c1-14-17(15(2)29-22(27-14)18(13-26-29)21(23)31)3-4-20(30)25-12-16-5-6-24-19(11-16)28-7-9-32-10-8-28/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H2,23,31)(H,25,30)
InChIKeyXIBYMTHNFHBAHI-UHFFFAOYSA-N
XLogP0.93
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55841171
6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55847907
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 47037193
N-[(5-methylfuran-2-yl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186208
5,7-dimethyl-6-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56797134
6-[3-(2,6-difluoroanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52621976
6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 51725008
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55820094
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 48504059

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 47054803) is 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XIBYMTHNFHBAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-14-17(15(2)29-22(27-14)18(13-26-29)21(23)31)3-4-20(30)25-12-16-5-6-24-19(11-16)28-7-9-32-10-8-28/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H2,23,31)(H,25,30).
What are the key properties of 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 47054803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).