3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide

C18H21N7O2 — CID 118380886

IUPAC3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
SMILESC[C@@H](NC(=O)Nc1cc2n[nH]c(C(N)CC(N)=O)c2cn1)c1ccccc1
InChIInChI=1S/C18H21N7O2/c1-10(11-5-3-2-4-6-11)22-18(27)23-16-8-14-12(9-21-16)17(25-24-14)13(19)7-15(20)26/h2-6,8-10,13H,7,19H2,1H3,(H2,20,26)(H,24,25)(H2,21,22,23,27)/t10-,13?/m1/s1
InChIKeyZMLIKINOKWDYKJ-VUUHIHSGSA-N
MW367.41 g/mol
LogP1.72
Rot. Bonds6

About 3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide

3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide (PubChem CID 118380886) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
PubChem CID118380886
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
SMILESC[C@@H](NC(=O)Nc1cc2n[nH]c(C(N)CC(N)=O)c2cn1)c1ccccc1
InChIInChI=1S/C18H21N7O2/c1-10(11-5-3-2-4-6-11)22-18(27)23-16-8-14-12(9-21-16)17(25-24-14)13(19)7-15(20)26/h2-6,8-10,13H,7,19H2,1H3,(H2,20,26)(H,24,25)(H2,21,22,23,27)/t10-,13?/m1/s1
InChIKeyZMLIKINOKWDYKJ-VUUHIHSGSA-N
XLogP1.72
TPSA151.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123850949
1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 78110338
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087
1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea
CID 135293192
1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123854456
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide
CID 135293439
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555095

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
The IUPAC name of 3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide (CID 118380886) is 3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide.
What is the SMILES notation for 3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
The canonical SMILES for 3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide is C[C@@H](NC(=O)Nc1cc2n[nH]c(C(N)CC(N)=O)c2cn1)c1ccccc1.
What is the InChIKey of 3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
The InChIKey is ZMLIKINOKWDYKJ-VUUHIHSGSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-10(11-5-3-2-4-6-11)22-18(27)23-16-8-14-12(9-21-16)17(25-24-14)13(19)7-15(20)26/h2-6,8-10,13H,7,19H2,1H3,(H2,20,26)(H,24,25)(H2,21,22,23,27)/t10-,13?/m1/s1.
What are the key properties of 3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide has a molecular weight of 367.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide is sourced from PubChem (CID 118380886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).