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

C19H22N6O2 — CID 118381007

IUPAC1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1
InChIInChI=1S/C19H22N6O2/c1-13(14-5-3-2-4-6-14)21-19(26)22-17-11-16-15(12-20-17)18(24-23-16)25-7-9-27-10-8-25/h2-6,11-13H,7-10H2,1H3,(H,23,24)(H2,20,21,22,26)/t13-/m1/s1
InChIKeyCAILAZMVJTUMIE-CYBMUJFWSA-N
MW366.43 g/mol
LogP2.68
Rot. Bonds4

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

1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea (PubChem CID 118381007) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
PubChem CID118381007
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1
InChIInChI=1S/C19H22N6O2/c1-13(14-5-3-2-4-6-14)21-19(26)22-17-11-16-15(12-20-17)18(24-23-16)25-7-9-27-10-8-25/h2-6,11-13H,7-10H2,1H3,(H,23,24)(H2,20,21,22,26)/t13-/m1/s1
InChIKeyCAILAZMVJTUMIE-CYBMUJFWSA-N
XLogP2.68
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea (CID 118381007) is 1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1.
What is the InChIKey of 1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea?
The InChIKey is CAILAZMVJTUMIE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13(14-5-3-2-4-6-14)21-19(26)22-17-11-16-15(12-20-17)18(24-23-16)25-7-9-27-10-8-25/h2-6,11-13H,7-10H2,1H3,(H,23,24)(H2,20,21,22,26)/t13-/m1/s1.
What are the key properties of 1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea?
1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea has a molecular weight of 366.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 118381007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).