5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide

C25H32F2N4O3 — CID 67411669

IUPAC5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)N[C@H](CO)CCNC(C)C)cc21
InChIInChI=1S/C25H32F2N4O3/c1-15(2)13-31-22-11-20(25(33)30-19(14-32)7-8-28-16(3)4)24(9-17(22)12-29-31)34-23-6-5-18(26)10-21(23)27/h5-6,9-12,15-16,19,28,32H,7-8,13-14H2,1-4H3,(H,30,33)/t19-/m0/s1
InChIKeyUCNKBUXOIXQQAF-IBGZPJMESA-N
MW474.55 g/mol
LogP4.24
Rot. Bonds11

About 5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide

5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide (PubChem CID 67411669) has the molecular formula C25H32F2N4O3 and a molecular weight of 474.55 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide
PubChem CID67411669
Molecular FormulaC25H32F2N4O3
Molecular Weight474.55 g/mol
Exact Mass474.24
IUPAC Name5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)N[C@H](CO)CCNC(C)C)cc21
InChIInChI=1S/C25H32F2N4O3/c1-15(2)13-31-22-11-20(25(33)30-19(14-32)7-8-28-16(3)4)24(9-17(22)12-29-31)34-23-6-5-18(26)10-21(23)27/h5-6,9-12,15-16,19,28,32H,7-8,13-14H2,1-4H3,(H,30,33)/t19-/m0/s1
InChIKeyUCNKBUXOIXQQAF-IBGZPJMESA-N
XLogP4.24
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide?
The IUPAC name of 5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide (CID 67411669) is 5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide is CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)N[C@H](CO)CCNC(C)C)cc21.
What is the InChIKey of 5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide?
The InChIKey is UCNKBUXOIXQQAF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H32F2N4O3/c1-15(2)13-31-22-11-20(25(33)30-19(14-32)7-8-28-16(3)4)24(9-17(22)12-29-31)34-23-6-5-18(26)10-21(23)27/h5-6,9-12,15-16,19,28,32H,7-8,13-14H2,1-4H3,(H,30,33)/t19-/m0/s1.
What are the key properties of 5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide?
5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide has a molecular weight of 474.55 g/mol, XLogP of 4.24, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide is sourced from PubChem (CID 67411669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).