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

C25H32F2N4O4 — CID 69113651

IUPAC[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(OC(=O)N[C@H](CO)CCNC(C)C)cc21
InChIInChI=1S/C25H32F2N4O4/c1-15(2)13-31-21-11-24(35-25(33)30-19(14-32)7-8-28-16(3)4)23(9-17(21)12-29-31)34-22-6-5-18(26)10-20(22)27/h5-6,9-12,15-16,19,28,32H,7-8,13-14H2,1-4H3,(H,30,33)/t19-/m0/s1
InChIKeyRNZZGZQQDPOQAH-IBGZPJMESA-N
MW490.55 g/mol
LogP4.60
Rot. Bonds11

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

[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate (PubChem CID 69113651) has the molecular formula C25H32F2N4O4 and a molecular weight of 490.55 g/mol. Its IUPAC name is [5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Name[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate
PubChem CID69113651
Molecular FormulaC25H32F2N4O4
Molecular Weight490.55 g/mol
Exact Mass490.24
IUPAC Name[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(OC(=O)N[C@H](CO)CCNC(C)C)cc21
InChIInChI=1S/C25H32F2N4O4/c1-15(2)13-31-21-11-24(35-25(33)30-19(14-32)7-8-28-16(3)4)23(9-17(21)12-29-31)34-22-6-5-18(26)10-20(22)27/h5-6,9-12,15-16,19,28,32H,7-8,13-14H2,1-4H3,(H,30,33)/t19-/m0/s1
InChIKeyRNZZGZQQDPOQAH-IBGZPJMESA-N
XLogP4.60
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate 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 [5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of [5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate (CID 69113651) is [5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for [5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for [5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate is CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(OC(=O)N[C@H](CO)CCNC(C)C)cc21.
What is the InChIKey of [5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is RNZZGZQQDPOQAH-IBGZPJMESA-N. The full InChI is InChI=1S/C25H32F2N4O4/c1-15(2)13-31-21-11-24(35-25(33)30-19(14-32)7-8-28-16(3)4)23(9-17(21)12-29-31)34-22-6-5-18(26)10-20(22)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)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate?
[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate has a molecular weight of 490.55 g/mol, XLogP of 4.60, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 69113651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).