N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C21H33N5O2 — CID 42939668

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)NCC(C(C)C)N3CCOCC3)c(C)n2n1
InChIInChI=1S/C21H33N5O2/c1-14(2)19(25-8-10-28-11-9-25)13-22-21(27)7-6-18-16(4)23-20-12-15(3)24-26(20)17(18)5/h12,14,19H,6-11,13H2,1-5H3,(H,22,27)
InChIKeyAKQDNYVHSGJMDY-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.06
Rot. Bonds7

About N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 42939668) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID42939668
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)NCC(C(C)C)N3CCOCC3)c(C)n2n1
InChIInChI=1S/C21H33N5O2/c1-14(2)19(25-8-10-28-11-9-25)13-22-21(27)7-6-18-16(4)23-20-12-15(3)24-26(20)17(18)5/h12,14,19H,6-11,13H2,1-5H3,(H,22,27)
InChIKeyAKQDNYVHSGJMDY-UHFFFAOYSA-N
XLogP2.06
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-morpholin-4-ylpropyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 30532438
N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 97005050
N-(3-hydroxybutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 111433373
N-[2-(methylamino)-2-oxoethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 32559039
N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 34231119
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 51251082
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide
CID 94249164
N-hexyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 32646392
N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46475586
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 43067318
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 56544581
N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142823

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 42939668) is N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)NCC(C(C)C)N3CCOCC3)c(C)n2n1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is AKQDNYVHSGJMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-14(2)19(25-8-10-28-11-9-25)13-22-21(27)7-6-18-16(4)23-20-12-15(3)24-26(20)17(18)5/h12,14,19H,6-11,13H2,1-5H3,(H,22,27).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 387.53 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 42939668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).