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

C23H24N6O2 — CID 71555463

IUPAC1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCC(C)Oc1ccc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cn1
InChIInChI=1S/C23H24N6O2/c1-14(2)31-21-10-9-17(12-25-21)22-18-13-24-20(11-19(18)28-29-22)27-23(30)26-15(3)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,28,29)(H2,24,26,27,30)/t15-/m1/s1
InChIKeyXZNCMEXFLMXNTP-OAHLLOKOSA-N
MW416.49 g/mol
LogP4.69
Rot. Bonds6

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

1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71555463) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID71555463
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCC(C)Oc1ccc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cn1
InChIInChI=1S/C23H24N6O2/c1-14(2)31-21-10-9-17(12-25-21)22-18-13-24-20(11-19(18)28-29-22)27-23(30)26-15(3)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,28,29)(H2,24,26,27,30)/t15-/m1/s1
InChIKeyXZNCMEXFLMXNTP-OAHLLOKOSA-N
XLogP4.69
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71555463) is 1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is CC(C)Oc1ccc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cn1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is XZNCMEXFLMXNTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14(2)31-21-10-9-17(12-25-21)22-18-13-24-20(11-19(18)28-29-22)27-23(30)26-15(3)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,28,29)(H2,24,26,27,30)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 416.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71555463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).