1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid

C23H19N5O3 — CID 141201305

IUPAC1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2cc(C3(C(=O)O)CC3)nc3[nH]ncc23)cc1
InChIInChI=1S/C23H19N5O3/c29-21(30)23(10-11-23)19-12-17(18-13-24-28-20(18)27-19)14-6-8-16(9-7-14)26-22(31)25-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,29,30)(H,24,27,28)(H2,25,26,31)
InChIKeyLMYUYDDNJUZPFJ-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.39
Rot. Bonds5

About 1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid

1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid (PubChem CID 141201305) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid
PubChem CID141201305
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2cc(C3(C(=O)O)CC3)nc3[nH]ncc23)cc1
InChIInChI=1S/C23H19N5O3/c29-21(30)23(10-11-23)19-12-17(18-13-24-28-20(18)27-19)14-6-8-16(9-7-14)26-22(31)25-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,29,30)(H,24,27,28)(H2,25,26,31)
InChIKeyLMYUYDDNJUZPFJ-UHFFFAOYSA-N
XLogP4.39
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid (CID 141201305) is 1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid is O=C(Nc1ccccc1)Nc1ccc(-c2cc(C3(C(=O)O)CC3)nc3[nH]ncc23)cc1.
What is the InChIKey of 1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid?
The InChIKey is LMYUYDDNJUZPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c29-21(30)23(10-11-23)19-12-17(18-13-24-28-20(18)27-19)14-6-8-16(9-7-14)26-22(31)25-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,29,30)(H,24,27,28)(H2,25,26,31).
What are the key properties of 1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid?
1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid has a molecular weight of 413.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 141201305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).