2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H28N6O2 — CID 140574576

IUPAC2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)N(Cc1cccc(CN2CCOCC2)c1)c1nn2cccnc2c1C(N)=O
InChIInChI=1S/C22H28N6O2/c1-16(2)27(22-19(20(23)29)21-24-7-4-8-28(21)25-22)15-18-6-3-5-17(13-18)14-26-9-11-30-12-10-26/h3-8,13,16H,9-12,14-15H2,1-2H3,(H2,23,29)
InChIKeyGCFJZKXJNUAIHY-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.08
Rot. Bonds7

About 2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140574576) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140574576
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)N(Cc1cccc(CN2CCOCC2)c1)c1nn2cccnc2c1C(N)=O
InChIInChI=1S/C22H28N6O2/c1-16(2)27(22-19(20(23)29)21-24-7-4-8-28(21)25-22)15-18-6-3-5-17(13-18)14-26-9-11-30-12-10-26/h3-8,13,16H,9-12,14-15H2,1-2H3,(H2,23,29)
InChIKeyGCFJZKXJNUAIHY-UHFFFAOYSA-N
XLogP2.08
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
2-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164596251
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(2R)-2-[4-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]propanamide
CID 126426099
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide
CID 56553596
3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 69292631
3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol
CID 70749351
(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol
CID 129457730
2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 131942057
2-amino-N-[(1R)-1-[8-(3-morpholin-4-ylprop-1-ynyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003666

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140574576) is 2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)N(Cc1cccc(CN2CCOCC2)c1)c1nn2cccnc2c1C(N)=O.
What is the InChIKey of 2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GCFJZKXJNUAIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-16(2)27(22-19(20(23)29)21-24-7-4-8-28(21)25-22)15-18-6-3-5-17(13-18)14-26-9-11-30-12-10-26/h3-8,13,16H,9-12,14-15H2,1-2H3,(H2,23,29).
What are the key properties of 2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(morpholin-4-ylmethyl)phenyl]methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140574576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).