N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H30N4O5 — CID 26343215

IUPACN-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnn3cccnc23)cc1OCC1(C)COC1
InChIInChI=1S/C25H30N4O5/c1-25(15-32-16-25)17-34-22-11-18(6-7-21(22)31-2)13-28(14-19-5-3-10-33-19)24(30)20-12-27-29-9-4-8-26-23(20)29/h4,6-9,11-12,19H,3,5,10,13-17H2,1-2H3/t19-/m1/s1
InChIKeyDZTCQOSJYDKYRN-LJQANCHMSA-N
MW466.54 g/mol
LogP2.97
Rot. Bonds9

About N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 26343215) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID26343215
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC NameN-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnn3cccnc23)cc1OCC1(C)COC1
InChIInChI=1S/C25H30N4O5/c1-25(15-32-16-25)17-34-22-11-18(6-7-21(22)31-2)13-28(14-19-5-3-10-33-19)24(30)20-12-27-29-9-4-8-26-23(20)29/h4,6-9,11-12,19H,3,5,10,13-17H2,1-2H3/t19-/m1/s1
InChIKeyDZTCQOSJYDKYRN-LJQANCHMSA-N
XLogP2.97
TPSA87.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 26319724
4-methoxy-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 118754774
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 26397160
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pent-4-enamide
CID 42499790
(E)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 118756844
(E)-3-(2-chlorophenyl)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 26400235
(E)-3-(2-chlorophenyl)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 26400236
N-[(3,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 51687516
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
CID 95133340
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45199784
[5-[[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenyl] propane-2-sulfonate
CID 93301820

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 26343215) is N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnn3cccnc23)cc1OCC1(C)COC1.
What is the InChIKey of N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DZTCQOSJYDKYRN-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-25(15-32-16-25)17-34-22-11-18(6-7-21(22)31-2)13-28(14-19-5-3-10-33-19)24(30)20-12-27-29-9-4-8-26-23(20)29/h4,6-9,11-12,19H,3,5,10,13-17H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 26343215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).