phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate

C22H20N6O3 — CID 118380997

IUPACphenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)Oc3ccccc3)c2cn1)c1ccccc1
InChIInChI=1S/C22H20N6O3/c1-14(15-8-4-2-5-9-15)24-21(29)25-19-12-18-17(13-23-19)20(28-27-18)26-22(30)31-16-10-6-3-7-11-16/h2-14H,1H3,(H2,23,24,25,29)(H2,26,27,28,30)/t14-/m1/s1
InChIKeyFMTBJCBMBUYWMF-CQSZACIVSA-N
MW416.44 g/mol
LogP4.45
Rot. Bonds5

About phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate

phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate (PubChem CID 118380997) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
PubChem CID118380997
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Namephenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)Oc3ccccc3)c2cn1)c1ccccc1
InChIInChI=1S/C22H20N6O3/c1-14(15-8-4-2-5-9-15)24-21(29)25-19-12-18-17(13-23-19)20(28-27-18)26-22(30)31-16-10-6-3-7-11-16/h2-14H,1H3,(H2,23,24,25,29)(H2,26,27,28,30)/t14-/m1/s1
InChIKeyFMTBJCBMBUYWMF-CQSZACIVSA-N
XLogP4.45
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The IUPAC name of phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate (CID 118380997) is phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate.
What is the SMILES notation for phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The canonical SMILES for phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate is C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)Oc3ccccc3)c2cn1)c1ccccc1.
What is the InChIKey of phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The InChIKey is FMTBJCBMBUYWMF-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-14(15-8-4-2-5-9-15)24-21(29)25-19-12-18-17(13-23-19)20(28-27-18)26-22(30)31-16-10-6-3-7-11-16/h2-14H,1H3,(H2,23,24,25,29)(H2,26,27,28,30)/t14-/m1/s1.
What are the key properties of phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate has a molecular weight of 416.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 118380997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).