1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C24H27FN8O2 — CID 118380800

IUPAC1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCn1cc2c(n1)CCN(c1n[nH]c3cc(NC(=O)N[C@@H](c4ccc(F)cc4)C(C)(C)O)ncc13)C2
InChIInChI=1S/C24H27FN8O2/c1-24(2,35)21(14-4-6-16(25)7-5-14)28-23(34)27-20-10-19-17(11-26-20)22(30-29-19)33-9-8-18-15(13-33)12-32(3)31-18/h4-7,10-12,21,35H,8-9,13H2,1-3H3,(H,29,30)(H2,26,27,28,34)/t21-/m0/s1
InChIKeyLNURDTPCZUYEEM-NRFANRHFSA-N
MW478.53 g/mol
LogP3.03
Rot. Bonds5

About 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118380800) has the molecular formula C24H27FN8O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118380800
Molecular FormulaC24H27FN8O2
Molecular Weight478.53 g/mol
Exact Mass478.22
IUPAC Name1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCn1cc2c(n1)CCN(c1n[nH]c3cc(NC(=O)N[C@@H](c4ccc(F)cc4)C(C)(C)O)ncc13)C2
InChIInChI=1S/C24H27FN8O2/c1-24(2,35)21(14-4-6-16(25)7-5-14)28-23(34)27-20-10-19-17(11-26-20)22(30-29-19)33-9-8-18-15(13-33)12-32(3)31-18/h4-7,10-12,21,35H,8-9,13H2,1-3H3,(H,29,30)(H2,26,27,28,34)/t21-/m0/s1
InChIKeyLNURDTPCZUYEEM-NRFANRHFSA-N
XLogP3.03
TPSA123.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118380800) is 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is Cn1cc2c(n1)CCN(c1n[nH]c3cc(NC(=O)N[C@@H](c4ccc(F)cc4)C(C)(C)O)ncc13)C2.
What is the InChIKey of 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is LNURDTPCZUYEEM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27FN8O2/c1-24(2,35)21(14-4-6-16(25)7-5-14)28-23(34)27-20-10-19-17(11-26-20)22(30-29-19)33-9-8-18-15(13-33)12-32(3)31-18/h4-7,10-12,21,35H,8-9,13H2,1-3H3,(H,29,30)(H2,26,27,28,34)/t21-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 478.53 g/mol, XLogP of 3.03, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118380800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).