1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea

C19H16N6O — CID 71555839

IUPAC1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)Nc4ccccc4)ncc23)ccn1
InChIInChI=1S/C19H16N6O/c1-12-9-13(7-8-20-12)18-15-11-21-17(10-16(15)24-25-18)23-19(26)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,24,25)(H2,21,22,23,26)
InChIKeyNKFWOZOSXKBWDP-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.97
Rot. Bonds3

About 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea

1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea (PubChem CID 71555839) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea
PubChem CID71555839
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)Nc4ccccc4)ncc23)ccn1
InChIInChI=1S/C19H16N6O/c1-12-9-13(7-8-20-12)18-15-11-21-17(10-16(15)24-25-18)23-19(26)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,24,25)(H2,21,22,23,26)
InChIKeyNKFWOZOSXKBWDP-UHFFFAOYSA-N
XLogP3.97
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea?
The IUPAC name of 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea (CID 71555839) is 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea.
What is the SMILES notation for 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea?
The canonical SMILES for 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea is Cc1cc(-c2n[nH]c3cc(NC(=O)Nc4ccccc4)ncc23)ccn1.
What is the InChIKey of 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea?
The InChIKey is NKFWOZOSXKBWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-9-13(7-8-20-12)18-15-11-21-17(10-16(15)24-25-18)23-19(26)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,24,25)(H2,21,22,23,26).
What are the key properties of 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea?
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea has a molecular weight of 344.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea is sourced from PubChem (CID 71555839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).