1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea

C41H41N9O5 — CID 73295834

IUPAC1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5c(c4)NC(=O)C5)n3)c3ccccc23)n(-c2ccc(OCCN3CCOCC3)cc2)n1
InChIInChI=1S/C41H41N9O5/c1-26(2)34-25-37(50(48-34)29-9-11-30(12-10-29)54-22-19-49-17-20-53-21-18-49)46-41(52)45-33-13-14-36(32-6-4-3-5-31(32)33)55-39-15-16-42-40(47-39)43-28-8-7-27-23-38(51)44-35(27)24-28/h3-16,24-26H,17-23H2,1-2H3,(H,44,51)(H,42,43,47)(H2,45,46,52)
InChIKeyQGEZMNVGCVUCMW-UHFFFAOYSA-N
MW739.84 g/mol
LogP7.32
Rot. Bonds12

About 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea

1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea (PubChem CID 73295834) has the molecular formula C41H41N9O5 and a molecular weight of 739.84 g/mol. Its IUPAC name is 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
PubChem CID73295834
Molecular FormulaC41H41N9O5
Molecular Weight739.84 g/mol
Exact Mass739.32
IUPAC Name1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5c(c4)NC(=O)C5)n3)c3ccccc23)n(-c2ccc(OCCN3CCOCC3)cc2)n1
InChIInChI=1S/C41H41N9O5/c1-26(2)34-25-37(50(48-34)29-9-11-30(12-10-29)54-22-19-49-17-20-53-21-18-49)46-41(52)45-33-13-14-36(32-6-4-3-5-31(32)33)55-39-15-16-42-40(47-39)43-28-8-7-27-23-38(51)44-35(27)24-28/h3-16,24-26H,17-23H2,1-2H3,(H,44,51)(H,42,43,47)(H2,45,46,52)
InChIKeyQGEZMNVGCVUCMW-UHFFFAOYSA-N
XLogP7.32
TPSA156.79 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500739.84
LogP ≤ 57.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea?
The IUPAC name of 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea (CID 73295834) is 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea.
What is the SMILES notation for 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea?
The canonical SMILES for 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea is CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5c(c4)NC(=O)C5)n3)c3ccccc23)n(-c2ccc(OCCN3CCOCC3)cc2)n1.
What is the InChIKey of 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea?
The InChIKey is QGEZMNVGCVUCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N9O5/c1-26(2)34-25-37(50(48-34)29-9-11-30(12-10-29)54-22-19-49-17-20-53-21-18-49)46-41(52)45-33-13-14-36(32-6-4-3-5-31(32)33)55-39-15-16-42-40(47-39)43-28-8-7-27-23-38(51)44-35(27)24-28/h3-16,24-26H,17-23H2,1-2H3,(H,44,51)(H,42,43,47)(H2,45,46,52).
What are the key properties of 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea?
1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea has a molecular weight of 739.84 g/mol, XLogP of 7.32, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea is sourced from PubChem (CID 73295834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).