3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide

C21H25N5O — CID 98074501

IUPAC3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide
SMILESO=C(CCc1ccccc1)NCC1CCC(c2[nH]nc3nccnc23)CC1
InChIInChI=1S/C21H25N5O/c27-18(11-8-15-4-2-1-3-5-15)24-14-16-6-9-17(10-7-16)19-20-21(26-25-19)23-13-12-22-20/h1-5,12-13,16-17H,6-11,14H2,(H,24,27)(H,23,25,26)
InChIKeyDZWNJHSYFJNBAS-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.38
Rot. Bonds6

About 3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide

3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide (PubChem CID 98074501) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide
PubChem CID98074501
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide
SMILESO=C(CCc1ccccc1)NCC1CCC(c2[nH]nc3nccnc23)CC1
InChIInChI=1S/C21H25N5O/c27-18(11-8-15-4-2-1-3-5-15)24-14-16-6-9-17(10-7-16)19-20-21(26-25-19)23-13-12-22-20/h1-5,12-13,16-17H,6-11,14H2,(H,24,27)(H,23,25,26)
InChIKeyDZWNJHSYFJNBAS-UHFFFAOYSA-N
XLogP3.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
2-(4-methylphenyl)-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide
CID 110223928
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
4-[(3-pyridin-4-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963619
N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide
CID 160656435
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide
CID 98126279
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855
N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
CID 119103247
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
4-[3-oxo-3-(thian-4-ylmethylamino)propyl]benzoic acid
CID 119182872
N-(cyclopropylmethyl)-3-[4-(piperidin-4-ylmethyl)phenyl]propanamide;hydrochloride
CID 146064790

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide (CID 98074501) is 3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide is O=C(CCc1ccccc1)NCC1CCC(c2[nH]nc3nccnc23)CC1.
What is the InChIKey of 3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide?
The InChIKey is DZWNJHSYFJNBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-18(11-8-15-4-2-1-3-5-15)24-14-16-6-9-17(10-7-16)19-20-21(26-25-19)23-13-12-22-20/h1-5,12-13,16-17H,6-11,14H2,(H,24,27)(H,23,25,26).
What are the key properties of 3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide?
3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 98074501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).