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

C23H22N6O3 — CID 118395360

IUPACbenzyl 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)OCc3ccccc3)c2cn1)c1ccccc1
InChIInChI=1S/C23H22N6O3/c1-15(17-10-6-3-7-11-17)25-22(30)26-20-12-19-18(13-24-20)21(29-28-19)27-23(31)32-14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H2,24,25,26,30)(H2,27,28,29,31)/t15-/m1/s1
InChIKeyVBEQGBANPNIFGU-OAHLLOKOSA-N
MW430.47 g/mol
LogP4.59
Rot. Bonds6

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

benzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate (PubChem CID 118395360) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is benzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
PubChem CID118395360
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Namebenzyl 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)OCc3ccccc3)c2cn1)c1ccccc1
InChIInChI=1S/C23H22N6O3/c1-15(17-10-6-3-7-11-17)25-22(30)26-20-12-19-18(13-24-20)21(29-28-19)27-23(31)32-14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H2,24,25,26,30)(H2,27,28,29,31)/t15-/m1/s1
InChIKeyVBEQGBANPNIFGU-OAHLLOKOSA-N
XLogP4.59
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The IUPAC name of benzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate (CID 118395360) is benzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The canonical SMILES for benzyl 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)OCc3ccccc3)c2cn1)c1ccccc1.
What is the InChIKey of benzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The InChIKey is VBEQGBANPNIFGU-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-15(17-10-6-3-7-11-17)25-22(30)26-20-12-19-18(13-24-20)21(29-28-19)27-23(31)32-14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H2,24,25,26,30)(H2,27,28,29,31)/t15-/m1/s1.
What are the key properties of benzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
benzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate has a molecular weight of 430.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 118395360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).