1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea

C26H29N7O2 — CID 121416547

IUPAC1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)N[C@H](C)c4ccccc4)nc(CN4CCOCC4)c32)ccn1
InChIInChI=1S/C26H29N7O2/c1-18-14-22(8-9-27-18)33-25-21(16-28-33)15-24(30-23(25)17-32-10-12-35-13-11-32)31-26(34)29-19(2)20-6-4-3-5-7-20/h3-9,14-16,19H,10-13,17H2,1-2H3,(H2,29,30,31,34)/t19-/m1/s1
InChIKeyDOECJCDOBZEJEY-LJQANCHMSA-N
MW471.57 g/mol
LogP3.84
Rot. Bonds6

About 1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea

1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 121416547) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea
PubChem CID121416547
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)N[C@H](C)c4ccccc4)nc(CN4CCOCC4)c32)ccn1
InChIInChI=1S/C26H29N7O2/c1-18-14-22(8-9-27-18)33-25-21(16-28-33)15-24(30-23(25)17-32-10-12-35-13-11-32)31-26(34)29-19(2)20-6-4-3-5-7-20/h3-9,14-16,19H,10-13,17H2,1-2H3,(H2,29,30,31,34)/t19-/m1/s1
InChIKeyDOECJCDOBZEJEY-LJQANCHMSA-N
XLogP3.84
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea (CID 121416547) is 1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea is Cc1cc(-n2ncc3cc(NC(=O)N[C@H](C)c4ccccc4)nc(CN4CCOCC4)c32)ccn1.
What is the InChIKey of 1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is DOECJCDOBZEJEY-LJQANCHMSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-18-14-22(8-9-27-18)33-25-21(16-28-33)15-24(30-23(25)17-32-10-12-35-13-11-32)31-26(34)29-19(2)20-6-4-3-5-7-20/h3-9,14-16,19H,10-13,17H2,1-2H3,(H2,29,30,31,34)/t19-/m1/s1.
What are the key properties of 1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 471.57 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-4-pyridinyl)-7-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 121416547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).