N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide

C29H29N5O3 — CID 118408251

IUPACN-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide
SMILESCNC(=O)C(Oc1ccc(-c2c(-c3ccncc3)nn3c2C(=O)NCC3)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C29H29N5O3/c1-18(2)19-4-6-22(7-5-19)27(29(36)30-3)37-23-10-8-20(9-11-23)24-25(21-12-14-31-15-13-21)33-34-17-16-32-28(35)26(24)34/h4-15,18,27H,16-17H2,1-3H3,(H,30,36)(H,32,35)
InChIKeyXCGCDJJAKDBUBN-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.34
Rot. Bonds7

About N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide

N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 118408251) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID118408251
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide
SMILESCNC(=O)C(Oc1ccc(-c2c(-c3ccncc3)nn3c2C(=O)NCC3)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C29H29N5O3/c1-18(2)19-4-6-22(7-5-19)27(29(36)30-3)37-23-10-8-20(9-11-23)24-25(21-12-14-31-15-13-21)33-34-17-16-32-28(35)26(24)34/h4-15,18,27H,16-17H2,1-3H3,(H,30,36)(H,32,35)
InChIKeyXCGCDJJAKDBUBN-UHFFFAOYSA-N
XLogP4.34
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide with MolForge

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Related Compounds

3-[4-[(3-methoxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118408431
3-[4-(3-phenylprop-2-ynoxy)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118408153
2-[4-oxo-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid
CID 129257861
ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 144930548
tert-butyl 4-oxo-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118408001
2-chloro-4-[[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]methyl]benzonitrile
CID 118408082
3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118408188
5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408013
3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 123487819
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 140792058
5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408122
[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol
CID 136962021

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide (CID 118408251) is N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide is CNC(=O)C(Oc1ccc(-c2c(-c3ccncc3)nn3c2C(=O)NCC3)cc1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is XCGCDJJAKDBUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-18(2)19-4-6-22(7-5-19)27(29(36)30-3)37-23-10-8-20(9-11-23)24-25(21-12-14-31-15-13-21)33-34-17-16-32-28(35)26(24)34/h4-15,18,27H,16-17H2,1-3H3,(H,30,36)(H,32,35).
What are the key properties of N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide?
N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 495.58 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 118408251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).