1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea

C20H23N5O2 — CID 121416537

IUPAC1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc2cnn(C3CCOCC3)c2cn1)c1ccccc1
InChIInChI=1S/C20H23N5O2/c1-14(15-5-3-2-4-6-15)23-20(26)24-19-11-16-12-22-25(18(16)13-21-19)17-7-9-27-10-8-17/h2-6,11-14,17H,7-10H2,1H3,(H2,21,23,24,26)/t14-/m1/s1
InChIKeyXYGCQNWJSODRBG-CQSZACIVSA-N
MW365.44 g/mol
LogP3.67
Rot. Bonds4

About 1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea

1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 121416537) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea
PubChem CID121416537
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc2cnn(C3CCOCC3)c2cn1)c1ccccc1
InChIInChI=1S/C20H23N5O2/c1-14(15-5-3-2-4-6-15)23-20(26)24-19-11-16-12-22-25(18(16)13-21-19)17-7-9-27-10-8-17/h2-6,11-14,17H,7-10H2,1H3,(H2,21,23,24,26)/t14-/m1/s1
InChIKeyXYGCQNWJSODRBG-CQSZACIVSA-N
XLogP3.67
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea (CID 121416537) is 1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)Nc1cc2cnn(C3CCOCC3)c2cn1)c1ccccc1.
What is the InChIKey of 1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is XYGCQNWJSODRBG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(15-5-3-2-4-6-15)23-20(26)24-19-11-16-12-22-25(18(16)13-21-19)17-7-9-27-10-8-17/h2-6,11-14,17H,7-10H2,1H3,(H2,21,23,24,26)/t14-/m1/s1.
What are the key properties of 1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 365.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 121416537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).