methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate

C18H20N6O3 — CID 118272221

IUPACmethyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
SMILESCCNc1n[nH]c2cc(NC(=O)NC(C(=O)OC)c3ccccc3)ncc12
InChIInChI=1S/C18H20N6O3/c1-3-19-16-12-10-20-14(9-13(12)23-24-16)21-18(26)22-15(17(25)27-2)11-7-5-4-6-8-11/h4-10,15H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,26)
InChIKeyXGBCBIHFHCDPPL-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.43
Rot. Bonds6

About methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate

methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate (PubChem CID 118272221) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
PubChem CID118272221
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Namemethyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
SMILESCCNc1n[nH]c2cc(NC(=O)NC(C(=O)OC)c3ccccc3)ncc12
InChIInChI=1S/C18H20N6O3/c1-3-19-16-12-10-20-14(9-13(12)23-24-16)21-18(26)22-15(17(25)27-2)11-7-5-4-6-8-11/h4-10,15H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,26)
InChIKeyXGBCBIHFHCDPPL-UHFFFAOYSA-N
XLogP2.43
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2,2,2-trifluoroethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381024
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-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381189
[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123871133
methyl N-[6-[[(1S)-2-methoxy-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395363
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 157271075
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea
CID 118395378
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185
1-[3-(oxan-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123839512
1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365348
methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 123396754

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate (CID 118272221) is methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate is CCNc1n[nH]c2cc(NC(=O)NC(C(=O)OC)c3ccccc3)ncc12.
What is the InChIKey of methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate?
The InChIKey is XGBCBIHFHCDPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-3-19-16-12-10-20-14(9-13(12)23-24-16)21-18(26)22-15(17(25)27-2)11-7-5-4-6-8-11/h4-10,15H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,26).
What are the key properties of methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate?
methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate has a molecular weight of 368.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate is sourced from PubChem (CID 118272221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).