1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea

C30H34FN7O2 — CID 69294459

IUPAC1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea
SMILESCC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4c(c3)CCNC4)c(F)c2)ccn1
InChIInChI=1S/C30H34FN7O2/c1-18(2)34-28-15-24(10-12-33-28)40-23-7-8-26(25(31)14-23)35-30(39)36-27-17-38(19(3)4)37-29(27)21-5-6-22-16-32-11-9-20(22)13-21/h5-8,10,12-15,17-19,32H,9,11,16H2,1-4H3,(H,33,34)(H2,35,36,39)
InChIKeyULQUJYNZYZAJKZ-UHFFFAOYSA-N
MW543.65 g/mol
LogP6.57
Rot. Bonds8

About 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea

1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea (PubChem CID 69294459) has the molecular formula C30H34FN7O2 and a molecular weight of 543.65 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea
PubChem CID69294459
Molecular FormulaC30H34FN7O2
Molecular Weight543.65 g/mol
Exact Mass543.28
IUPAC Name1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea
SMILESCC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4c(c3)CCNC4)c(F)c2)ccn1
InChIInChI=1S/C30H34FN7O2/c1-18(2)34-28-15-24(10-12-33-28)40-23-7-8-26(25(31)14-23)35-30(39)36-27-17-38(19(3)4)37-29(27)21-5-6-22-16-32-11-9-20(22)13-21/h5-8,10,12-15,17-19,32H,9,11,16H2,1-4H3,(H,33,34)(H2,35,36,39)
InChIKeyULQUJYNZYZAJKZ-UHFFFAOYSA-N
XLogP6.57
TPSA105.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.65
LogP ≤ 56.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea (CID 69294459) is 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea is CC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4c(c3)CCNC4)c(F)c2)ccn1.
What is the InChIKey of 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea?
The InChIKey is ULQUJYNZYZAJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O2/c1-18(2)34-28-15-24(10-12-33-28)40-23-7-8-26(25(31)14-23)35-30(39)36-27-17-38(19(3)4)37-29(27)21-5-6-22-16-32-11-9-20(22)13-21/h5-8,10,12-15,17-19,32H,9,11,16H2,1-4H3,(H,33,34)(H2,35,36,39).
What are the key properties of 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea?
1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea has a molecular weight of 543.65 g/mol, XLogP of 6.57, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[[2-(propan-2-ylamino)-4-pyridinyl]oxy]phenyl]-3-[1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 69294459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).