1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea

C22H22N6O — CID 71555534

IUPAC1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cc(C)n1
InChIInChI=1S/C22H22N6O/c1-13-9-17(10-14(2)24-13)21-18-12-23-20(11-19(18)27-28-21)26-22(29)25-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,27,28)(H2,23,25,26,29)/t15-/m1/s1
InChIKeyHYXKDYKYIIXPSM-OAHLLOKOSA-N
MW386.46 g/mol
LogP4.52
Rot. Bonds4

About 1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea

1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 71555534) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
PubChem CID71555534
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cc(C)n1
InChIInChI=1S/C22H22N6O/c1-13-9-17(10-14(2)24-13)21-18-12-23-20(11-19(18)27-28-21)26-22(29)25-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,27,28)(H2,23,25,26,29)/t15-/m1/s1
InChIKeyHYXKDYKYIIXPSM-OAHLLOKOSA-N
XLogP4.52
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (CID 71555534) is 1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cc(C)n1.
What is the InChIKey of 1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is HYXKDYKYIIXPSM-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N6O/c1-13-9-17(10-14(2)24-13)21-18-12-23-20(11-19(18)27-28-21)26-22(29)25-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,27,28)(H2,23,25,26,29)/t15-/m1/s1.
What are the key properties of 1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 386.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 71555534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).