1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

C20H23FN6O3 — CID 118381043

IUPAC1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOC[C@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN6O3/c1-29-12-17(13-2-4-14(21)5-3-13)23-20(28)24-18-10-16-15(11-22-18)19(26-25-16)27-6-8-30-9-7-27/h2-5,10-11,17H,6-9,12H2,1H3,(H,25,26)(H2,22,23,24,28)/t17-/m0/s1
InChIKeyCNQGBDHWMPQQOV-KRWDZBQOSA-N
MW414.44 g/mol
LogP2.44
Rot. Bonds6

About 1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118381043) has the molecular formula C20H23FN6O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118381043
Molecular FormulaC20H23FN6O3
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC Name1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOC[C@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN6O3/c1-29-12-17(13-2-4-14(21)5-3-13)23-20(28)24-18-10-16-15(11-22-18)19(26-25-16)27-6-8-30-9-7-27/h2-5,10-11,17H,6-9,12H2,1H3,(H,25,26)(H2,22,23,24,28)/t17-/m0/s1
InChIKeyCNQGBDHWMPQQOV-KRWDZBQOSA-N
XLogP2.44
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
3-(5-ethyl-1-methyl-1H-pyrazol-3-yl)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71548179
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-phenylethyl)urea
CID 71555243
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555244
1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 71555392
(R)-1-(3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-phenylethyl)urea
CID 71555466
1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555534
1-[3-(6-methylpyridazin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044553
1-[3-(2-fluoro-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044895
(R)-((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-phenylethyl) 2-(aminomethyl)morpholine-4-carboxylate (26)
CID 86766008
ERK-IN-2 (free base)
CID 145925680
N-butyl-4-[2-(4-fluorophenyl)-7-morpholino-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 5275713

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118381043) is 1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COC[C@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is CNQGBDHWMPQQOV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN6O3/c1-29-12-17(13-2-4-14(21)5-3-13)23-20(28)24-18-10-16-15(11-22-18)19(26-25-16)27-6-8-30-9-7-27/h2-5,10-11,17H,6-9,12H2,1H3,(H,25,26)(H2,22,23,24,28)/t17-/m0/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 414.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118381043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).