1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea

C22H19N7O2 — CID 121416577

IUPAC1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NCc4ccc5c(c4)CC(=O)N5)ncc32)ccn1
InChIInChI=1S/C22H19N7O2/c1-13-6-17(4-5-23-13)29-19-12-24-20(8-16(19)11-26-29)28-22(31)25-10-14-2-3-18-15(7-14)9-21(30)27-18/h2-8,11-12H,9-10H2,1H3,(H,27,30)(H2,24,25,28,31)
InChIKeyDWQBNAAIYDPJNF-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.94
Rot. Bonds4

About 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea

1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea (PubChem CID 121416577) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
PubChem CID121416577
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NCc4ccc5c(c4)CC(=O)N5)ncc32)ccn1
InChIInChI=1S/C22H19N7O2/c1-13-6-17(4-5-23-13)29-19-12-24-20(8-16(19)11-26-29)28-22(31)25-10-14-2-3-18-15(7-14)9-21(30)27-18/h2-8,11-12H,9-10H2,1H3,(H,27,30)(H2,24,25,28,31)
InChIKeyDWQBNAAIYDPJNF-UHFFFAOYSA-N
XLogP2.94
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
The IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea (CID 121416577) is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea is Cc1cc(-n2ncc3cc(NC(=O)NCc4ccc5c(c4)CC(=O)N5)ncc32)ccn1.
What is the InChIKey of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
The InChIKey is DWQBNAAIYDPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-13-6-17(4-5-23-13)29-19-12-24-20(8-16(19)11-26-29)28-22(31)25-10-14-2-3-18-15(7-14)9-21(30)27-18/h2-8,11-12H,9-10H2,1H3,(H,27,30)(H2,24,25,28,31).
What are the key properties of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea has a molecular weight of 413.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea is sourced from PubChem (CID 121416577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).