methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate

C20H22N6O4 — CID 123396754

IUPACmethyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
SMILESCOC(=O)Nc1n[nH]c2cc(NC(=O)NC(c3ccccc3)C3(O)CCC3)ncc12
InChIInChI=1S/C20H22N6O4/c1-30-19(28)24-17-13-11-21-15(10-14(13)25-26-17)22-18(27)23-16(20(29)8-5-9-20)12-6-3-2-4-7-12/h2-4,6-7,10-11,16,29H,5,8-9H2,1H3,(H2,21,22,23,27)(H2,24,25,26,28)
InChIKeyJDUHHCFMQPQNPV-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.91
Rot. Bonds5

About methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate

methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate (PubChem CID 123396754) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
PubChem CID123396754
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Namemethyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
SMILESCOC(=O)Nc1n[nH]c2cc(NC(=O)NC(c3ccccc3)C3(O)CCC3)ncc12
InChIInChI=1S/C20H22N6O4/c1-30-19(28)24-17-13-11-21-15(10-14(13)25-26-17)22-18(27)23-16(20(29)8-5-9-20)12-6-3-2-4-7-12/h2-4,6-7,10-11,16,29H,5,8-9H2,1H3,(H2,21,22,23,27)(H2,24,25,26,28)
InChIKeyJDUHHCFMQPQNPV-UHFFFAOYSA-N
XLogP2.91
TPSA141.26 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate with MolForge

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Related Compounds

methyl N-[6-[[(1S)-2-methoxy-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395363
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
methyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395286
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
CID 118272221
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381189
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185
2-methoxyethyl 4-amino-6-[[(S)-(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]pyridine-3-carboximidate
CID 118373965
1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea
CID 123521622
N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide
CID 118380874
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2,2,2-trifluoroethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381024

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The IUPAC name of methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate (CID 123396754) is methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate is COC(=O)Nc1n[nH]c2cc(NC(=O)NC(c3ccccc3)C3(O)CCC3)ncc12.
What is the InChIKey of methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The InChIKey is JDUHHCFMQPQNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-30-19(28)24-17-13-11-21-15(10-14(13)25-26-17)22-18(27)23-16(20(29)8-5-9-20)12-6-3-2-4-7-12/h2-4,6-7,10-11,16,29H,5,8-9H2,1H3,(H2,21,22,23,27)(H2,24,25,26,28).
What are the key properties of methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate has a molecular weight of 410.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[[(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 123396754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).