[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea

C19H20FN5O2 — CID 145228924

IUPAC[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea
SMILESCc1c(-c2cnc(C(C)(C)O)c(F)c2)nn(-c2ccccc2)c1NC(N)=O
InChIInChI=1S/C19H20FN5O2/c1-11-15(12-9-14(20)16(22-10-12)19(2,3)27)24-25(17(11)23-18(21)26)13-7-5-4-6-8-13/h4-10,27H,1-3H3,(H3,21,23,26)
InChIKeyNDHGKSZSBBSOPX-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.10
Rot. Bonds4

About [3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea

[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea (PubChem CID 145228924) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is [3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea
PubChem CID145228924
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea
SMILESCc1c(-c2cnc(C(C)(C)O)c(F)c2)nn(-c2ccccc2)c1NC(N)=O
InChIInChI=1S/C19H20FN5O2/c1-11-15(12-9-14(20)16(22-10-12)19(2,3)27)24-25(17(11)23-18(21)26)13-7-5-4-6-8-13/h4-10,27H,1-3H3,(H3,21,23,26)
InChIKeyNDHGKSZSBBSOPX-UHFFFAOYSA-N
XLogP3.10
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(Cyanomethyl)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71537365
1-[3-(2-fluoro-4-pyridinyl)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118168984
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea
CID 118380823
N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118380826
N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]azetidine-1-carboxamide
CID 118380949
1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(1,1,1-trifluoropropan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381030
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea
CID 118381251
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea
CID 73505859
2-[5-[6-Amino-5-(trifluoromethyl)pyridin-3-yl]-2-propan-2-ylpyrazol-3-yl]propan-2-ol
CID 78318302
1-[5-[6-Amino-5-(trifluoromethyl)pyridin-3-yl]-2-propan-2-ylpyrazol-3-yl]cyclopentan-1-ol
CID 90286621
1-[3-(2-hydroxypropan-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044876
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea
CID 118380760

Frequently Asked Questions

What is the IUPAC name of [3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea?
The IUPAC name of [3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea (CID 145228924) is [3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for [3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for [3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea is Cc1c(-c2cnc(C(C)(C)O)c(F)c2)nn(-c2ccccc2)c1NC(N)=O.
What is the InChIKey of [3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea?
The InChIKey is NDHGKSZSBBSOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-11-15(12-9-14(20)16(22-10-12)19(2,3)27)24-25(17(11)23-18(21)26)13-7-5-4-6-8-13/h4-10,27H,1-3H3,(H3,21,23,26).
What are the key properties of [3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea?
[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea has a molecular weight of 369.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 145228924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).